CAS RN: 63741-13-9
CAS Name: 8-anilino-5-(4-anilino-5-sulfo-1-naphthalenyl)-1-naphthalenesulfonic acid
OPENEYE Name: 8-anilino-5-(4-anilino-5-sulfo-1-naphthyl)naphthalene-1-sulfonic acid
IUPAC Name: 8-anilino-5-(4-anilino-5-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
SYSTEMATIC NAME: 8-phenylazanyl-5-(4-phenylazanyl-5-sulfo-naphthalen-1-yl)naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C32H24N2O6S2
MOLECULAR WEIGHT: 596.67276
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)C4=C5C=CC=C(C5=C(C=C4)NC6=CC=CC=C6)S(=O)(=O)O)C=CC=C3S(=O)(=O)O
Structure:
CAS RN: 37739-05-2
CAS Name: (2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2R,3R,4S,5R)-2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2R,3R,4S,5R)-2-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C15H20ClN5O4
MOLECULAR WEIGHT: 369.8034
SMILES: C1CCC(C1)NC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)Cl
Structure:
CAS RN: 67030-27-7
CAS Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] [hydroxy-[1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy-[1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [1-(2-nitrophenyl)ethoxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C18H23N6O15P3
MOLECULAR WEIGHT: 656.327703
SMILES: CC(C1=CC=CC=C1[N+](=O)[O-])OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN=C4N)O)O
Structure:
CAS RN: 51833-78-4
CAS Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2
IUPAC Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]p
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-i
MOLECULAR FORMULA: C41H62N12O11
MOLECULAR WEIGHT: 899.00478
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 39386-80-6
CAS Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5
OPENEYE Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2
IUPAC Name: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]p
SYSTEMATIC NAME: (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-i
MOLECULAR FORMULA: C41H62N12O11
MOLECULAR WEIGHT: 899.00478
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
Structure:
CAS RN: 70904-56-2
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C15H23N5O4
MOLECULAR WEIGHT: 337.37422
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N)O
Structure:
CAS RN: 5746-04-3
CAS Name: (2S)-2-amino-6-(carboxymethylamino)hexanoic acid
OPENEYE Name: (2S)-2-amino-6-(carboxymethylamino)hexanoic acid
IUPAC Name: (2S)-2-amino-6-(carboxymethylamino)hexanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
MOLECULAR FORMULA: C8H16N2O4
MOLECULAR WEIGHT: 204.22364
SMILES: C(CCNCC(=O)O)C[C@@H](C(=O)O)N
Structure:
CAS RN: 362-39-0
CAS Name: (2S)-1-[[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-N-[(2S,3S)-1-[(2-amino-2-oxoethyl)amin
OPENEYE Name: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S,2S)-1-[(2-amino-2-oxo-ethyl)c
IUPAC Name: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3
SYSTEMATIC NAME: (2S)-1-[[(4R,7S,10S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N
MOLECULAR FORMULA: C43H66N12O12S2
MOLECULAR WEIGHT: 1007.18734
SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Structure:
CAS RN: 15611-43-5
CAS Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
OPENEYE Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylene)-13-ethyl-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
IUPAC Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
SYSTEMATIC NAME: magnesium; 3-[18-[bis(oxidanidyl)methylidene]-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
MOLECULAR FORMULA: C34H34MgN4O6
MOLECULAR WEIGHT: 618.96196
SMILES: [H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
Structure:
CAS RN: 11006-92-1
CAS Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
OPENEYE Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylene)-13-ethyl-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
IUPAC Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
SYSTEMATIC NAME: magnesium; 3-[18-[bis(oxidanidyl)methylidene]-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
MOLECULAR FORMULA: C34H34MgN4O6
MOLECULAR WEIGHT: 618.96196
SMILES: [H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
Structure:
CAS RN: 37348-48-4
CAS Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
OPENEYE Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylene)-13-ethyl-3,7,12,17-tetramethyl-8-vinyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
IUPAC Name: magnesium; 3-[20-(carboxylatomethyl)-18-(dioxidomethylidene)-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
SYSTEMATIC NAME: magnesium; 3-[18-[bis(oxidanidyl)methylidene]-8-ethenyl-13-ethyl-3,7,12,17-tetramethyl-20-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydroporphyrin-23-id-2-yl]propanoate; hydron
MOLECULAR FORMULA: C34H34MgN4O6
MOLECULAR WEIGHT: 618.96196
SMILES: [H+].[H+].[H+].CCC1=C(C2=CC3=NC(=CC4=NC(=C(C5=NC(=C(C5=C([O-])[O-])C)C=C1[N-]2)CC(=O)[O-])C(C4C)CCC(=O)[O-])C(=C3C=C)C)C.[Mg+2]
Structure:
CAS RN: 99566-27-5
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1,5-dioxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diam
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(1S)-1-[(2-amino-1-benzyl-2-oxo-ethyl)carbamoyl]-4-guanidino-butyl]p
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-(diaminomethylidenea
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-5-azanyl-2-[[(2S)-2-[[(2S)-2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]carbonylamino]-N-[(2S)-1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)
MOLECULAR FORMULA: C54H76N14O10
MOLECULAR WEIGHT: 1081.26904
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=CC=C4)N
Structure:
CAS RN: 1852-49-9
CAS Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-oxidanylethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C27H44O8
MOLECULAR WEIGHT: 496.63346
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C)O
Structure:
CAS RN: 122752-16-3
CAS Name: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-5-[[1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[1-[[(1S)-1-[(2-amino-2-oxo-ethyl)carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-5-[[1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[1-[[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]am
MOLECULAR FORMULA: C38H54N8O10
MOLECULAR WEIGHT: 782.88296
SMILES: C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 127060-75-7
CAS Name: (2S,3S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]propyl]amino]-1-oxohexyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]
OPENEYE Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methy
IUPAC Name: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carb
SYSTEMATIC NAME: (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-[[(2S)-5-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-
MOLECULAR FORMULA: C52H69N13O11
MOLECULAR WEIGHT: 1052.18476
SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)C5=CN=CC=C5
Structure:
CAS RN: 137833-32-0
CAS Name: (2S,3R)-2-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-1-[(2S)-2-[2-[[(2S)-2-[[(2R)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C35H48N6O8
MOLECULAR WEIGHT: 680.79102
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC3=CC=CC=C3)N)O
Structure:
CAS RN: 80501-44-6
CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]
OPENEYE Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-methyl-pentanoic acid
IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-methylpentanoic
SYSTEMATIC NAME: (2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]ethanoylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-methyl-pe
MOLECULAR FORMULA: C41H61N11O10S
MOLECULAR WEIGHT: 900.05574
SMILES: CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 71716-65-9
CAS Name: 1,3-dioxo-5-isobenzofurancarboxylic acid 2-(2-methyl-1-oxoprop-2-enoxy)ethyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 1,3-dioxoisobenzofuran-5-carboxylate
IUPAC Name: methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 1,3-dioxo-2-benzofuran-5-carboxylate
SYSTEMATIC NAME: methyl 2-methylprop-2-enoate; 2-(2-methylprop-2-enoyloxy)ethyl 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylate
MOLECULAR FORMULA: C20H20O9
MOLECULAR WEIGHT: 404.3674
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O
Structure:
CAS RN: 57966-42-4
CAS Name: (2S,3R)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C30H48N8O8
MOLECULAR WEIGHT: 648.75092
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCN=C(N)N)N)O
Structure:
CAS RN: 35373-63-8
CAS Name: (2S,3R)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid
OPENEYE Name: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic acid
IUPAC Name: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methyl-pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid
MOLECULAR FORMULA: C30H48N8O8
MOLECULAR WEIGHT: 648.75092
SMILES: C[C@H]([C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCCN=C(N)N)N)O
Structure:
CAS RN: 16170-92-6
CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid
OPENEYE Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodo-phenyl]propanoic acid
IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid
MOLECULAR FORMULA: C15H14INO4
MOLECULAR WEIGHT: 399.18043
SMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2)CC(C(=O)O)N)I
Structure:
CAS RN: 29354-16-3
CAS Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid
OPENEYE Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodo-phenyl]propanoic acid
IUPAC Name: 2-amino-3-[4-(4-hydroxyphenoxy)-3-iodophenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[3-iodanyl-4-(4-oxidanylphenoxy)phenyl]propanoic acid
MOLECULAR FORMULA: C15H14INO4
MOLECULAR WEIGHT: 399.18043
SMILES: C1=CC(=CC=C1O)OC2=C(C=C(C=C2)CC(C(=O)O)N)I
Structure:
CAS RN: 56879-46-0
CAS Name: 2-(2-pyrrolidinyl)acetic acid
OPENEYE Name: 2-pyrrolidin-2-ylacetic acid
IUPAC Name: 2-pyrrolidin-2-ylacetic acid
SYSTEMATIC NAME: 2-pyrrolidin-2-ylethanoic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1CC(NC1)CC(=O)O
Structure:
CAS RN: 60482-95-3
CAS Name: 2-[[(2S,3S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-4-methylpen
OPENEYE Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-4-methyl-pentanoi
MOLECULAR FORMULA: C38H64N12O8
MOLECULAR WEIGHT: 816.99036
SMILES: CC[C@H](C)[C@@H](C(=O)NC(CC(C)C)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
Structure:
CAS RN: 13168-24-6
CAS Name: (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanal
OPENEYE Name: (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanal
IUPAC Name: (2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
SYSTEMATIC NAME: (2R,3S,4S,5R)-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]([C@H](C=O)O)[C@H]([C@@H](CO)O)O)O)O)O)O
Structure:
CAS RN: 47922-48-5
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]-1-pyrrolidinyl]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]ami
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-4-amino-1-[(2S)-2-[(2-amino-2-oxo-ethyl)carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydro
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hy
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-5-azanyl-1-[(2S)-2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]pyrrolidin-1-yl]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-
MOLECULAR FORMULA: C54H71N15O14
MOLECULAR WEIGHT: 1154.23364
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6
Structure:
CAS RN: 38864-21-0
CAS Name: N-[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(1S,2R,3R)-3-acetamido-1-[(1R)-1,2-dihydroxyethyl]-2-hydroxy-4-oxo-butoxy]-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C24H41N3O16
MOLECULAR WEIGHT: 627.59284
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)NC(=O)C)O)CO)CO)O)O
Structure:
CAS RN: 38806-39-2
CAS Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-imidazo[2,1-f]purinyl)-2-oxolanyl]methyl phosphono hydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yl-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl phosphono hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
MOLECULAR FORMULA: C12H15N5O10P2
MOLECULAR WEIGHT: 451.222522
SMILES: C1=CN2C=NC3=C(C2=N1)N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O
Structure:
CAS RN: 14344-48-0
CAS Name: 2-[2-[(1-carboxy-2-mercaptoethyl)amino]ethylamino]-3-mercaptopropanoic acid
OPENEYE Name: 2-[2-[(1-carboxy-2-sulfanyl-ethyl)amino]ethylamino]-3-sulfanyl-propanoic acid
IUPAC Name: 2-[2-[(1-carboxy-2-sulfanylethyl)amino]ethylamino]-3-sulfanylpropanoic acid
SYSTEMATIC NAME: 2-[2-[(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)amino]ethylamino]-3-sulfanyl-propanoic acid
MOLECULAR FORMULA: C8H16N2O4S2
MOLECULAR WEIGHT: 268.35364
SMILES: C(CNC(CS)C(=O)O)NC(CS)C(=O)O
Structure:
CAS RN: 134009-45-3
CAS Name: 2-[2-(1-carboxylato-2-sulfidoethyl)azanidylethylamino]-3-sulfidopropanoate; hydron; oxotechnetium-99(3+)
OPENEYE Name: 2-[2-(1-carboxylato-2-sulfido-ethyl)azanidylethylamino]-3-sulfido-propanoate; hydron; oxotechnetium-99(3+)
IUPAC Name: 2-[2-(1-carboxylato-2-sulfidoethyl)azanidylethylamino]-3-sulfidopropanoate; hydron; oxotechnetium-99(3+)
SYSTEMATIC NAME: hydron; 2-[2-(1-oxidanidyl-1-oxidanylidene-3-sulfanidyl-propan-2-yl)azanidylethylamino]-3-sulfanidyl-propanoate; oxidanylidenetechnetium-99(3+)
MOLECULAR FORMULA: C8H13N2O5S2Tc
MOLECULAR WEIGHT: 380.235475
SMILES: [H+].[H+].C(C[N-]C(C[S-])C(=O)[O-])NC(C[S-])C(=O)[O-].O=[99Tc+3]
Structure:
CAS RN: 85387-35-5
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-[1-(phenylmethyl)-3-piperidinyl] ester hydrochloride
OPENEYE Name: O5-(1-benzyl-3-piperidyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
IUPAC Name: 5-O-(1-benzylpiperidin-3-yl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
SYSTEMATIC NAME: O3-methyl O5-[1-(phenylmethyl)piperidin-3-yl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
MOLECULAR FORMULA: C28H32ClN3O6
MOLECULAR WEIGHT: 542.02318
SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC2CCCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC.Cl
Structure:
CAS RN: 120838-62-2
CAS Name: 4-[3-[[1-(diphenylmethyl)-3-azetidinyl]oxy]-2-hydroxypropoxy]-1H-indole-2-carbonitrile
OPENEYE Name: 4-[3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxy-propoxy]-1H-indole-2-carbonitrile
IUPAC Name: 4-[3-(1-benzhydrylazetidin-3-yl)oxy-2-hydroxypropoxy]-1H-indole-2-carbonitrile
SYSTEMATIC NAME: 4-[3-[1-(diphenylmethyl)azetidin-3-yl]oxy-2-oxidanyl-propoxy]-1H-indole-2-carbonitrile
MOLECULAR FORMULA: C28H27N3O3
MOLECULAR WEIGHT: 453.53228
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OCC(COC4=CC=CC5=C4C=C(N5)C#N)O
Structure:
CAS RN: 27023-00-3
CAS Name: 4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
OPENEYE Name: 4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxy-pentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxy-pentyl]amino]-2-oxo-ethyl]-2-hydroxy-4-oxo-butanoic acid
IUPAC Name: 4-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[(1S)-5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[(2S)-6-[ethanoyl(oxidanyl)amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-2-[2-[[(2S)-6-[ethanoyl(oxidanyl)amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C22H36N4O13
MOLECULAR WEIGHT: 564.54024
SMILES: CC(=O)N(CCCC[C@@H](C(=O)O)NC(=O)CC(CC(=O)N[C@@H](CCCCN(C(=O)C)O)C(=O)O)(C(=O)O)O)O
Structure:
CAS RN: 85287-56-5
CAS Name: 2-(methylamino)benzoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
MOLECULAR FORMULA: C18H23N6O14P3
MOLECULAR WEIGHT: 640.328303
SMILES: CNC1=CC=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3N=CN=C4N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 76823-03-5
CAS Name: 3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid
OPENEYE Name: 3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
IUPAC Name: 3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
SYSTEMATIC NAME: 3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
MOLECULAR FORMULA: C21H12O7
MOLECULAR WEIGHT: 376.31578
SMILES: C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Structure:
CAS RN: 3862-25-7
CAS Name: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (7R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-7-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)O)C
Structure:
CAS RN: 100845-83-8
CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]propanoic acid
OPENEYE Name: 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]propanoic acid
IUPAC Name: 3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid
SYSTEMATIC NAME: 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]propanoic acid
MOLECULAR FORMULA: C13H17NO3S
MOLECULAR WEIGHT: 267.34398
SMILES: C1=CC=C(C=C1)CC(CS)C(=O)NCCC(=O)O
Structure:
CAS RN: 152881-18-0
CAS Name: 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropylpurine-2,6-dione
OPENEYE Name: 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropyl-purine-2,6-dione
IUPAC Name: 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropylpurine-2,6-dione
SYSTEMATIC NAME: 8-(3,4-dimethoxyphenyl)-7-methyl-1,3-dipropyl-purine-2,6-dione
MOLECULAR FORMULA: C20H26N4O4
MOLECULAR WEIGHT: 386.44484
SMILES: CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC(=C(C=C3)OC)OC)C
Structure:
CAS RN: 145645-62-1
CAS Name: 1-[2-[(diphenylmethylene)amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
OPENEYE Name: 1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
IUPAC Name: 1-[2-(benzhydrylideneamino)oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
SYSTEMATIC NAME: 1-[2-[(diphenylmethylidene)amino]oxyethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid hydrochloride
MOLECULAR FORMULA: C21H23ClN2O3
MOLECULAR WEIGHT: 386.87192
SMILES: C1CN(CC(=C1)C(=O)O)CCON=C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 14075-00-4
CAS Name: [(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl] dihydrogen phosphate
OPENEYE Name: [(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl] dihydrogen phosphate
IUPAC Name: [(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] dihydrogen phosphate
MOLECULAR FORMULA: C5H11O8P
MOLECULAR WEIGHT: 230.109801
SMILES: C([C@@H]1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O)O
Structure:
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