CAS RN: 49863-47-0
CAS Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
OPENEYE Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-3-[(2S,3R,4R,5S,6R)-3-azanyl-4,5-bis(oxidanyl)-6-[(1R)-1-oxidanylethyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H40N4O10
MOLECULAR WEIGHT: 496.5524
SMILES: C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O
Structure:
CAS RN: 49662-03-5
CAS Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
OPENEYE Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-5-methyl-4-(methylamino)tetrahydropyran-3,5-diol
IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1R)-1-hydroxyethyl]oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
SYSTEMATIC NAME: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-bis(azanyl)-3-[(2S,3R,4R,5S,6R)-3-azanyl-4,5-bis(oxidanyl)-6-[(1R)-1-oxidanylethyl]oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol
MOLECULAR FORMULA: C20H40N4O10
MOLECULAR WEIGHT: 496.5524
SMILES: C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O
Structure:
CAS RN: 103667-46-5
CAS Name: 10-(4-aminobutyl)-19-[(2-amino-1-oxo-3-phenylpropyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide
OPENEYE Name: 10-(4-aminobutyl)-19-[(2-amino-3-phenyl-propanoyl)amino]-7-(1-hydroxyethyl)-N-[2-hydroxy-1-(hydroxymethyl)propyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
IUPAC Name: 10-(4-aminobutyl)-19-[(2-amino-3-phenylpropanoyl)amino]-N-(1,3-dihydroxybutan-2-yl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
SYSTEMATIC NAME: 10-(4-azanylbutyl)-19-[(2-azanyl-3-phenyl-propanoyl)amino]-N-[1,3-bis(oxidanyl)butan-2-yl]-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxam
MOLECULAR FORMULA: C49H66N10O11S2
MOLECULAR WEIGHT: 1035.23874
SMILES: CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O
Structure:
CAS RN: 138381-45-0
CAS Name: 4-(1-aminoethyl)-N-pyridin-4-yl-1-cyclohexanecarboxamide dihydrochloride
OPENEYE Name: 4-(1-aminoethyl)-N-(4-pyridyl)cyclohexanecarboxamide dihydrochloride
IUPAC Name: 4-(1-aminoethyl)-N-pyridin-4-ylcyclohexane-1-carboxamide dihydrochloride
SYSTEMATIC NAME: 4-(1-azanylethyl)-N-pyridin-4-yl-cyclohexane-1-carboxamide dihydrochloride
MOLECULAR FORMULA: C14H23Cl2N3O
MOLECULAR WEIGHT: 320.25792
SMILES: CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.Cl.Cl
Structure:
CAS RN: 5245-66-9
CAS Name: N-(4-hydroxyphenyl)acetamide; propanoic acid [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester; hydrochloride
OPENEYE Name: [(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; N-(4-hydroxyphenyl)acetamide; hydrochloride
IUPAC Name: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; N-(4-hydroxyphenyl)acetamide; hydrochloride
SYSTEMATIC NAME: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; N-(4-hydroxyphenyl)ethanamide; hydrochloride
MOLECULAR FORMULA: C30H39ClN2O4
MOLECULAR WEIGHT: 527.09466
SMILES: CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.CC(=O)NC1=CC=C(C=C1)O.Cl
Structure:
CAS RN: 39400-85-6
CAS Name: N-(4-hydroxyphenyl)acetamide; propanoic acid [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] ester; hydrochloride
OPENEYE Name: [(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenyl-propyl] propanoate; N-(4-hydroxyphenyl)acetamide; hydrochloride
IUPAC Name: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate; N-(4-hydroxyphenyl)acetamide; hydrochloride
SYSTEMATIC NAME: [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenyl-butan-2-yl] propanoate; N-(4-hydroxyphenyl)ethanamide; hydrochloride
MOLECULAR FORMULA: C30H39ClN2O4
MOLECULAR WEIGHT: 527.09466
SMILES: CCC(=O)O[C@](CC1=CC=CC=C1)(C2=CC=CC=C2)[C@H](C)CN(C)C.CC(=O)NC1=CC=C(C=C1)O.Cl
Structure:
CAS RN: 87067-99-0
CAS Name: 1-[8-[(2,5-dioxo-3-sulfo-1-pyrrolidinyl)oxy]-1,8-dioxooctoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid
OPENEYE Name: 1-[8-(2,5-dioxo-3-sulfo-pyrrolidin-1-yl)oxy-8-oxo-octanoyl]oxy-2,5-dioxo-pyrrolidine-3-sulfonic acid
IUPAC Name: 1-[8-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-8-oxooctanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid
SYSTEMATIC NAME: 1-[8-[2,5-bis(oxidanylidene)-3-sulfo-pyrrolidin-1-yl]oxy-8-oxidanylidene-octanoyl]oxy-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid
MOLECULAR FORMULA: C16H20N2O14S2
MOLECULAR WEIGHT: 528.465
SMILES: C1C(C(=O)N(C1=O)OC(=O)CCCCCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O
Structure:
CAS RN: 6634-56-6
CAS Name: (2S)-1-[(2R)-2-amino-1-oxo-3-phenylpropyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]-2-piperidinecarboxamide
OPENEYE Name: (2S)-1-[(2R)-2-amino-3-phenyl-propanoyl]-N-[(1S)-4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]piperidine-2-carboxamide
IUPAC Name: (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]piperidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2R)-2-azanyl-3-phenyl-propanoyl]-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]piperidine-2-carboxamide
MOLECULAR FORMULA: C27H36N8O5
MOLECULAR WEIGHT: 552.62534
SMILES: C1CCN([C@@H](C1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@@H](CC3=CC=CC=C3)N
Structure:
CAS RN: 1541-27-1
CAS Name: 1-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)pyrrole-2,5-dione
OPENEYE Name: 1-(1-hydroxy-2,2,6,6-tetramethyl-4-piperidyl)pyrrole-2,5-dione
IUPAC Name: 1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(2,2,6,6-tetramethyl-1-oxidanyl-piperidin-4-yl)pyrrole-2,5-dione
MOLECULAR FORMULA: C13H20N2O3
MOLECULAR WEIGHT: 252.3095
SMILES: CC1(CC(CC(N1O)(C)C)N2C(=O)C=CC2=O)C
Structure:
CAS RN: 119340-53-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H21N5O13P2
MOLECULAR WEIGHT: 541.300462
SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=CN(C4=N)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(OP(=O)(O1)O)O)O)O)O)O
Structure:
CAS RN: 172890-35-6
CAS Name: 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H18O5
MOLECULAR WEIGHT: 230.25762
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCO
Structure:
CAS RN: 303040-94-0
CAS Name: 2-methyl-2-propenoic acid 2-hydroxyethyl ester; 2-methyl-2-propenoic acid methyl ester
OPENEYE Name: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
IUPAC Name: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-hydroxyethyl 2-methylprop-2-enoate; methyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C11H18O5
MOLECULAR WEIGHT: 230.25762
SMILES: CC(=C)C(=O)OC.CC(=C)C(=O)OCCO
Structure:
CAS RN: 77327-04-9
CAS Name: (2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(m
OPENEYE Name: (2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-12-hydroxy-3-isobutyl-8-isopropyl-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-13-[(1S)-1-methylpropyl]-2,5,7,10,15,19,22-heptaoxo-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(methyla
IUPAC Name: (2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]-4-methyl-2-(m
SYSTEMATIC NAME: (2R)-N-[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-12-oxidanyl-2,5,7,10,15,19,22-heptakis(oxidanylidene)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-y
MOLECULAR FORMULA: C49H78N6O12
MOLECULAR WEIGHT: 943.17662
SMILES: CC[C@H](C)[C@@H]1[C@H](CC(=O)O[C@H](C(=O)[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H](CC(C)C)NC)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O
Structure:
CAS RN: 141923-47-9
CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(1-piperidinyl)benzamide hydrochloride
OPENEYE Name: N-(diaminomethylene)-3-methylsulfonyl-4-(1-piperidyl)benzamide hydrochloride
IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-piperidin-1-ylbenzamide hydrochloride
SYSTEMATIC NAME: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-piperidin-1-yl-benzamide hydrochloride
MOLECULAR FORMULA: C14H21ClN4O3S
MOLECULAR WEIGHT: 360.85954
SMILES: CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCCCC2.Cl
Structure:
CAS RN: 120551-15-7
CAS Name: 2-[6-[bis(carboxymethyl)amino]-5-(carboxymethoxy)-2-benzofuranyl]-5-oxazolecarboxylic acid
OPENEYE Name: 2-[6-[bis(carboxymethyl)amino]-5-(carboxymethoxy)benzofuran-2-yl]oxazole-5-carboxylic acid
IUPAC Name: 2-[6-[bis(carboxymethyl)amino]-5-(carboxymethoxy)-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
SYSTEMATIC NAME: 2-[6-[bis(2-hydroxy-2-oxoethyl)amino]-5-(2-hydroxy-2-oxoethyloxy)-1-benzofuran-2-yl]-1,3-oxazole-5-carboxylic acid
MOLECULAR FORMULA: C18H14N2O11
MOLECULAR WEIGHT: 434.31056
SMILES: C1=C2C=C(OC2=CC(=C1OCC(=O)O)N(CC(=O)O)CC(=O)O)C3=NC=C(O3)C(=O)O
Structure:
CAS RN: 3466-75-9
CAS Name: 9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
OPENEYE Name: 3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
IUPAC Name: 9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
SYSTEMATIC NAME: 9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
MOLECULAR FORMULA: C19H29NO3
MOLECULAR WEIGHT: 319.43846
SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1O)OC)OC
Structure:
CAS RN: 13408-62-3
CAS Name: formonitrile; iron(3+); tricyanide
OPENEYE Name: ferric formonitrile tricyanide
IUPAC Name: formonitrile; iron(3+); tricyanide
SYSTEMATIC NAME: iron(3+); methanenitrile; tricyanide
MOLECULAR FORMULA: C6H3FeN6
MOLECULAR WEIGHT: 214.97322
SMILES: C#N.C#N.C#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3]
Structure:
CAS RN: 33048-46-3
CAS Name: 1,3-dioxan-2-one
OPENEYE Name: 1,3-dioxan-2-one
IUPAC Name: 1,3-dioxan-2-one
SYSTEMATIC NAME: 1,3-dioxan-2-one
MOLECULAR FORMULA: C4H6O3
MOLECULAR WEIGHT: 102.08864
SMILES: C1COC(=O)OC1
Structure:
CAS RN: 75734-93-9
CAS Name: 1,4-dioxane-2,5-dione; 1,3-dioxan-2-one
OPENEYE Name: 1,4-dioxane-2,5-dione; 1,3-dioxan-2-one
IUPAC Name: 1,4-dioxane-2,5-dione; 1,3-dioxan-2-one
SYSTEMATIC NAME: 1,4-dioxane-2,5-dione; 1,3-dioxan-2-one
MOLECULAR FORMULA: C8H10O7
MOLECULAR WEIGHT: 218.1608
SMILES: C1COC(=O)OC1.C1C(=O)OCC(=O)O1
Structure:
CAS RN: 30315-93-6
CAS Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[amino(dimethylamino)methylene]amino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[azanyl(dimethylamino)methylidene]amino]pentanoic acid
MOLECULAR FORMULA: C8H18N4O2
MOLECULAR WEIGHT: 202.25412
SMILES: CN(C)C(=NCCC[C@@H](C(=O)O)N)N
Structure:
CAS RN: 314-01-2
CAS Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[amino(dimethylamino)methylene]amino]pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[amino(dimethylamino)methylidene]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[azanyl(dimethylamino)methylidene]amino]pentanoic acid
MOLECULAR FORMULA: C8H18N4O2
MOLECULAR WEIGHT: 202.25412
SMILES: CN(C)C(=NCCC[C@@H](C(=O)O)N)N
Structure:
CAS RN: 82258-36-4
CAS Name: 2-[6-(4-chlorophenoxy)hexyl]-2-oxiranecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
IUPAC Name: ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
SYSTEMATIC NAME: ethyl 2-[6-(4-chloranylphenoxy)hexyl]oxirane-2-carboxylate
MOLECULAR FORMULA: C17H23ClO4
MOLECULAR WEIGHT: 326.81512
SMILES: CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl
Structure:
CAS RN: 63368-54-7
CAS Name: N-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-2-iodoacetamide
OPENEYE Name: N-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)-2-iodo-acetamide
IUPAC Name: N-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)-2-iodoacetamide
SYSTEMATIC NAME: N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]-2-iodanyl-ethanamide
MOLECULAR FORMULA: C22H14INO6
MOLECULAR WEIGHT: 515.25413
SMILES: C1=CC2=C(C=C1NC(=O)CI)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
Structure:
CAS RN: 23025-68-5
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C40H54N8O8
MOLECULAR WEIGHT: 774.90556
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 202203-97-2
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methyl-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C40H54N8O8
MOLECULAR WEIGHT: 774.90556
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 96426-21-0
CAS Name: (3S)-3-[[2-[[(2S)-2-[(2-amino-1-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-1-oxoethyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
OPENEYE Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-guanidino-pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxy-ethyl]amino]-4-oxo-butanoic acid
IUPAC Name: (3S)-3-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
SYSTEMATIC NAME: (3S)-3-[2-[[(2S)-2-(2-azanylethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoyl]amino]ethanoylamino]-4-[[(2S)-1,3-bis(oxidanyl)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C17H30N8O9
MOLECULAR WEIGHT: 490.4683
SMILES: C(C[C@@H](C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)CN)CN=C(N)N
Structure:
CAS RN: 39254-94-9
CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
OPENEYE Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
IUPAC Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid; 2-amino-3-hydroxy-N'-[(2,3,4-trihydroxyphenyl)methyl]propanehydrazide
SYSTEMATIC NAME: (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid; 2-azanyl-3-oxidanyl-N'-[[2,3,4-tris(oxidanyl)phenyl]methyl]propanehydrazide
MOLECULAR FORMULA: C19H26N4O9
MOLECULAR WEIGHT: 454.43114
SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O.C1=CC(=C(C(=C1CNNC(=O)C(CO)N)O)O)O
Structure:
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