CAS RN: 134700-29-1
CAS Name: 5-prop-1-ynyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-prop-1-ynyl-1H-pyrimidine-2,4-dione
IUPAC Name: 5-prop-1-ynyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-prop-1-ynyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H6N2O2
MOLECULAR WEIGHT: 150.13474
SMILES: CC#CC1=CNC(=O)NC1=O
Structure:
CAS RN: 134665-86-4
CAS Name: N-[(2S)-2-amino-5-(carbamoylamino)-1-oxopentyl]-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(2S)-2-amino-5-ureido-pentanoyl]-N-[(1S)-4-guanidino-1-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]butyl]carbamate
IUPAC Name: benzyl N-[(2S)-2-amino-5-(carbamoylamino)pentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-5-(aminocarbonylamino)-2-azanyl-pentanoyl]-N-[(2S)-5-[bis(azanyl)methylideneamino]-1-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-1-oxidanylidene-pentan-2-yl]carbamate
MOLECULAR FORMULA: C30H38N8O7
MOLECULAR WEIGHT: 622.67212
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)N(C(=O)[C@H](CCCNC(=O)N)N)C(=O)OCC3=CC=CC=C3
Structure:
CAS RN: 134637-07-3
CAS Name: 2-(4-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetic acid 1-azabicyclo[2.2.2]octan-3-yl ester
OPENEYE Name: quinuclidin-3-yl 2-(4-bromophenyl)-2-hydroxy-2-(2-thienyl)acetate
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-bromophenyl)-2-hydroxy-2-thiophen-2-ylacetate
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-bromophenyl)-2-oxidanyl-2-thiophen-2-yl-ethanoate
MOLECULAR FORMULA: C19H20BrNO3S
MOLECULAR WEIGHT: 422.336
SMILES: C1CN2CCC1C(C2)OC(=O)C(C3=CC=C(C=C3)Br)(C4=CC=CS4)O
Structure:
CAS RN: 134574-90-6
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-formylamino]-2-methyl-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-formyl-amino]-2-methyl-3-phenyl-propanoate
IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]-formylamino]-2-methyl-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-methanoyl-amino]-2-methyl-3-phenyl-propanoate
MOLECULAR FORMULA: C23H35N3O5S
MOLECULAR WEIGHT: 465.6061
SMILES: CC(C)C[C@@H](C(=O)N(C=O)[C@@](C)(CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CCSC)N
Structure:
CAS RN: 134566-65-7
CAS Name: 1-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
OPENEYE Name: 1-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
IUPAC Name: 1-[2-(dimethylamino)ethylamino]-5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione
SYSTEMATIC NAME: 1-[2-(dimethylamino)ethylamino]-4-[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C22H28N4O5
MOLECULAR WEIGHT: 428.48152
SMILES: CN(C)CCNC1=C2C(=C(C=C1)NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O
Structure:
CAS RN: 134564-85-5
CAS Name: (2R)-2-[[(4S)-4-[(2-amino-1-oxoethyl)amino]-4-carboxy-1-oxobutyl]amino]-3-hydroxy-3-(hydroxymethyl)-2-(mercaptomethyl)-4-(4-nitrophenoxy)butanoic acid
OPENEYE Name: (2R)-2-[[(4S)-4-[(2-aminoacetyl)amino]-4-carboxy-butanoyl]amino]-3-hydroxy-3-(hydroxymethyl)-4-(4-nitrophenoxy)-2-(sulfanylmethyl)butanoic acid
IUPAC Name: (2R)-2-[[(4S)-4-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-3-hydroxy-3-(hydroxymethyl)-4-(4-nitrophenoxy)-2-(sulfanylmethyl)butanoic acid
SYSTEMATIC NAME: (2R)-2-[[(4S)-4-(2-azanylethanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(hydroxymethyl)-4-(4-nitrophenoxy)-3-oxidanyl-2-(sulfanylmethyl)butanoic acid
MOLECULAR FORMULA: C19H26N4O11S
MOLECULAR WEIGHT: 518.49494
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCC(CO)([C@](CS)(C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CN)O
Structure:
CAS RN: 134553-54-1
CAS Name: (2S,3R,4S,5S,6R)-2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxymethyl]oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-(1,5-dimethyl-1-vinyl-hex-4-enoxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-(3,7-dimethylocta-1,6-dien-3-yloxy)-6-[[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxane-3,4,5-triol
MOLECULAR FORMULA: C21H36O10
MOLECULAR WEIGHT: 448.50454
SMILES: CC(=CCCC(C)(C=C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O)O)O)C
Structure:
CAS RN: 134535-05-0
CAS Name: (2-chlorophenyl)-dicyclohexylphosphine; gold(1+)
OPENEYE Name: (2-chlorophenyl)-dicyclohexyl-phosphane; gold(1+)
IUPAC Name: (2-chlorophenyl)-dicyclohexylphosphane; gold(1+)
SYSTEMATIC NAME: (2-chlorophenyl)-dicyclohexyl-phosphane; gold(1+)
MOLECULAR FORMULA: C18H26AuClP+
MOLECULAR WEIGHT: 505.792351
SMILES: C1CCC(CC1)P(C2CCCCC2)C3=CC=CC=C3Cl.[Au+]
Structure:
CAS RN: 134520-88-0
CAS Name: 4-[(4-cyanophenyl)-(2-tetrazolyl)methyl]benzonitrile
OPENEYE Name: 4-[(4-cyanophenyl)-(tetrazol-2-yl)methyl]benzonitrile
IUPAC Name: 4-[(4-cyanophenyl)-(tetrazol-2-yl)methyl]benzonitrile
SYSTEMATIC NAME: 4-[(4-cyanophenyl)-(1,2,3,4-tetrazol-2-yl)methyl]benzenecarbonitrile
MOLECULAR FORMULA: C16H10N6
MOLECULAR WEIGHT: 286.2908
SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3N=CN=N3
Structure:
CAS RN: 134517-03-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H15ClN6O
MOLECULAR WEIGHT: 366.8043
SMILES: CC1CN2C3=C(N=CN3C4=C(C2=N1)C(=CC=C4)Cl)C5=NOC(=N5)C6CC6
Structure:
CAS RN: 134516-75-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H14N6O
MOLECULAR WEIGHT: 318.33266
SMILES: C1CC1C2=NC(=NO2)C3=C4N5CCN=C5C6=CC=CC=C6N4C=N3
Structure:
CAS RN: 134515-72-3
CAS Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]oxy]-3,4,5-trihydroxy-2-oxanyl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[[(2S,3R)-2-[3,4-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C27H34O16
MOLECULAR WEIGHT: 614.54926
SMILES: C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O
Structure:
CAS RN: 134460-39-2
CAS Name: 5-fluoro-2,4-dioxo-N-[6-[[1-oxo-2-[(1-oxo-2-propylpentyl)amino]ethyl]amino]hexyl]-1-pyrimidinecarboxamide
OPENEYE Name: 5-fluoro-2,4-dioxo-N-[6-[[2-(2-propylpentanoylamino)acetyl]amino]hexyl]pyrimidine-1-carboxamide
IUPAC Name: 5-fluoro-2,4-dioxo-N-[6-[[2-(2-propylpentanoylamino)acetyl]amino]hexyl]pyrimidine-1-carboxamide
SYSTEMATIC NAME: 5-fluoranyl-2,4-bis(oxidanylidene)-N-[6-[2-(2-propylpentanoylamino)ethanoylamino]hexyl]pyrimidine-1-carboxamide
MOLECULAR FORMULA: C21H34FN5O5
MOLECULAR WEIGHT: 455.523563
SMILES: CCCC(CCC)C(=O)NCC(=O)NCCCCCCNC(=O)N1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 134447-97-5
CAS Name: (2S)-1-[(2S,3S)-2-[[[(2S,3S)-3-ethoxycarbonyl-2-oxiranyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxirane-2-carbonyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S,3S)-2-[[(2S,3S)-3-ethoxycarbonyloxiran-2-yl]carbonylamino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C17H26N2O7
MOLECULAR WEIGHT: 370.39754
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H]2[C@H](O2)C(=O)OCC
Structure:
CAS RN: 134439-74-0
CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-
OPENEYE Name: (2S)-N-[(1S)-2-[[2-[[(1S)-1-[[(1S,2R)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-hydroxy-pr
IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-a
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-y
MOLECULAR FORMULA: C59H82N14O18
MOLECULAR WEIGHT: 1275.36538
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H]4CCCN4C(=O)CNC(=O)[C@H](CO)N)O
Structure:
CAS RN: 134439-56-8
CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[2-[[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]-1-oxoethyl]amino]methyl]-3-(4-isothiocyanatophenyl)propyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic
OPENEYE Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[2-[[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]methyl]-3-(4-isothiocyanatophenyl)propyl]amino]-2-oxo-ethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[[2-[[2-[[[2-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetyl]amino]methyl]-3-(4-isothiocyanatophenyl)propyl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-[2-[[2-[[2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoylamino]methyl]-3-(4-isothiocyanatophenyl)propyl]amino]-2-oxidanylidene-ethyl]-(2-hyd
MOLECULAR FORMULA: C39H57N9O18S
MOLECULAR WEIGHT: 971.98438
SMILES: C1=CC(=CC=C1CC(CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=C=S
Structure:
CAS RN: 134426-36-1
CAS Name: 2-[5-[bis(2-chloroethyl)amino]-1-methyl-2-benzimidazolyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]acetate
IUPAC Name: methyl 2-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[5-[bis(2-chloroethyl)amino]-1-methyl-benzimidazol-2-yl]ethanoate
MOLECULAR FORMULA: C15H19Cl2N3O2
MOLECULAR WEIGHT: 344.23626
SMILES: CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CC(=O)OC
Structure:
CAS RN: 134423-92-0
CAS Name: 2-[(1-oxo-2-propylpentyl)amino]acetic acid [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-bis[1-oxo-2-[(1-oxo-2-propylpentyl)amino]ethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-bis[[2-(2-propylpentanoylamino)acetyl]oxy]tetrahydrofuran-2-yl]methyl 2-(2-propylpentanoylamino)acetate
IUPAC Name: [(2R,3R,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-bis[[2-(2-propylpentanoylamino)acetyl]oxy]oxolan-2-yl]methyl 2-(2-propylpentanoylamino)acetate
SYSTEMATIC NAME: [(2R,3R,4R,5R)-5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis[2-(2-propylpentanoylamino)ethanoyloxy]oxolan-2-yl]methyl 2-(2-propylpentanoylamino)ethanoate
MOLECULAR FORMULA: C39H62FN5O12
MOLECULAR WEIGHT: 811.934283
SMILES: CCCC(CCC)C(=O)NCC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)OC(=O)CNC(=O)C(CCC)CCC)OC(=O)CNC(=O)C(CCC)CCC
Structure:
CAS RN: 134413-34-6
CAS Name: N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylthio]-N-methylacetamide
OPENEYE Name: N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methyl-acetamide
IUPAC Name: N-butyl-2-[5-[4-[(11S,13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]-N-methylacetamide
SYSTEMATIC NAME: N-butyl-N-methyl-2-[5-[4-[(11S,13S,17S)-13-methyl-3,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl]phenoxy]pentylsulfanyl]ethanamide
MOLECULAR FORMULA: C36H51NO4S
MOLECULAR WEIGHT: 593.85944
SMILES: CCCCN(C)C(=O)CSCCCCCOC1=CC=C(C=C1)[C@H]2C[C@@]3([C@H](CCC3C4C2C5=C(CC4)C=C(C=C5)O)O)C
Structure:
CAS RN: 134406-64-7
CAS Name: 2-[[[(2S)-1-[(2S)-2-[[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C32H38N6O7
MOLECULAR WEIGHT: 618.68012
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N5CCC[C@H]5C(=O)NCC(=O)O
Structure:
CAS RN: 134388-43-5
CAS Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)-1-imidazolyl]methyl]-2,6-dimethoxyphenyl]benzoic acid
OPENEYE Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxy-phenyl]benzoic acid
IUPAC Name: 2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxyphenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[2-butyl-4-chloranyl-5-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxy-phenyl]benzoic acid
MOLECULAR FORMULA: C24H27ClN2O5
MOLECULAR WEIGHT: 458.93458
SMILES: CCCCC1=NC(=C(N1CC2=CC(=C(C(=C2)OC)C3=CC=CC=C3C(=O)O)OC)CO)Cl
Structure:
CAS RN: 134360-57-9
CAS Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)-1-imidazolyl]methyl]-2,6-dimethoxyphenyl]benzoic acid
OPENEYE Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxy-phenyl]benzoic acid
IUPAC Name: 2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxyphenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[[2-butyl-5-chloranyl-4-(hydroxymethyl)imidazol-1-yl]methyl]-2,6-dimethoxy-phenyl]benzoic acid
MOLECULAR FORMULA: C24H27ClN2O5
MOLECULAR WEIGHT: 458.93458
SMILES: CCCCC1=NC(=C(N1CC2=CC(=C(C(=C2)OC)C3=CC=CC=C3C(=O)O)OC)Cl)CO
Structure:
CAS RN: 134359-69-6
CAS Name: (2S)-2-[[(2S,3S)-1,3-diamino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
OPENEYE Name: (2S)-2-[[(1S,2S)-2-amino-1-carbamoyl-3-methyl-butyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
IUPAC Name: (2S)-2-[[(2S,3S)-1,3-diamino-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-1,3-bis(azanyl)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoic acid
MOLECULAR FORMULA: C12H21N5O3
MOLECULAR WEIGHT: 283.32684
SMILES: CC(C)[C@@H]([C@@H](C(=O)N)N[C@@H](CC1=CN=CN1)C(=O)O)N
Structure:
CAS RN: 134332-55-1
CAS Name: 4-[1-[(10R,13S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethylamino]-4-oxobutanoic acid
OPENEYE Name: 4-[1-[(10R,13S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethylamino]-4-oxo-butanoic acid
IUPAC Name: 4-[1-[(10R,13S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethylamino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[1-[(10R,13S,17S)-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethylamino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C25H35NO4
MOLECULAR WEIGHT: 413.5497
SMILES: CC([C@H]1CCC2[C@@]1(CCC3C2CCC4=CC(=O)C=C[C@]34C)C)NC(=O)CCC(=O)O
Structure:
CAS RN: 81739-40-4
CAS Name: 4-oxo-4-(4-thiazolyl)butanenitrile
OPENEYE Name: 4-oxo-4-thiazol-4-yl-butanenitrile
IUPAC Name: 4-oxo-4-(1,3-thiazol-4-yl)butanenitrile
SYSTEMATIC NAME: 4-oxidanylidene-4-(1,3-thiazol-4-yl)butanenitrile
MOLECULAR FORMULA: C7H6N2OS
MOLECULAR WEIGHT: 166.20034
SMILES: C1=C(N=CS1)C(=O)CCC#N
Structure:
CAS RN: 81703-65-3
CAS Name: 11-methyl-6H-pyrido[4,3-b]carbazole-5-carboxaldehyde
OPENEYE Name: 11-methyl-6H-pyrido[4,3-b]carbazole-5-carbaldehyde
IUPAC Name: 11-methyl-6H-pyrido[4,3-b]carbazole-5-carbaldehyde
SYSTEMATIC NAME: 11-methyl-6H-pyrido[4,3-b]carbazole-5-carbaldehyde
MOLECULAR FORMULA: C17H12N2O
MOLECULAR WEIGHT: 260.28998
SMILES: CC1=C2C3=CC=CC=C3NC2=C(C4=C1C=NC=C4)C=O
Structure:
CAS RN: 77215-58-8
CAS Name: 2-amino-3-[(2-bromo-1-oxoethyl)amino]propanoic acid
OPENEYE Name: 2-amino-3-[(2-bromoacetyl)amino]propanoic acid
IUPAC Name: 2-amino-3-[(2-bromoacetyl)amino]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(2-bromanylethanoylamino)propanoic acid
MOLECULAR FORMULA: C5H9BrN2O3
MOLECULAR WEIGHT: 225.04056
SMILES: C(C(C(=O)O)N)NC(=O)CBr
Structure:
CAS RN: 77215-58-8
CAS Name: (2S)-2-amino-3-[(2-bromo-1-oxoethyl)amino]propanoic acid hydrobromide
OPENEYE Name: (2S)-2-amino-3-[(2-bromoacetyl)amino]propanoic acid hydrobromide
IUPAC Name: (2S)-2-amino-3-[(2-bromoacetyl)amino]propanoic acid hydrobromide
SYSTEMATIC NAME: (2S)-2-azanyl-3-(2-bromanylethanoylamino)propanoic acid hydrobromide
MOLECULAR FORMULA: C5H10Br2N2O3
MOLECULAR WEIGHT: 305.9525
SMILES: C([C@@H](C(=O)O)N)NC(=O)CBr.Br
Structure:
CAS RN: 81542-87-2
CAS Name: 4-chloro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
OPENEYE Name: 4-chloro-5-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol
IUPAC Name: 4-chloro-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-chloranyl-5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C11H16ClNO3
MOLECULAR WEIGHT: 245.70264
SMILES: CC(C)NCC(C1=CC(=C(C=C1Cl)O)O)O
Structure:
CAS RN: 77145-61-0
CAS Name: 1-(6-chloro-2-pyridinyl)-4-piperidinamine hydrochloride
OPENEYE Name: 1-(6-chloro-2-pyridyl)piperidin-4-amine hydrochloride
IUPAC Name: 1-(6-chloropyridin-2-yl)piperidin-4-amine hydrochloride
SYSTEMATIC NAME: 1-(6-chloranylpyridin-2-yl)piperidin-4-amine hydrochloride
MOLECULAR FORMULA: C10H15Cl2N3
MOLECULAR WEIGHT: 248.1522
SMILES: C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl
Structure:
CAS RN: 81542-84-9
CAS Name: 1-(6-chloro-2-pyridinyl)-4-piperidinamine hydrochloride
OPENEYE Name: 1-(6-chloro-2-pyridyl)piperidin-4-amine hydrochloride
IUPAC Name: 1-(6-chloropyridin-2-yl)piperidin-4-amine hydrochloride
SYSTEMATIC NAME: 1-(6-chloranylpyridin-2-yl)piperidin-4-amine hydrochloride
MOLECULAR FORMULA: C10H15Cl2N3
MOLECULAR WEIGHT: 248.1522
SMILES: C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl
Structure:
CAS RN: 814-74-4
CAS Name: [[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-methyliminomethyl]urea
OPENEYE Name: [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea
IUPAC Name: [N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea
SYSTEMATIC NAME: 1-[N'-methyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]carbamimidoyl]urea
MOLECULAR FORMULA: C10H18N6OS
MOLECULAR WEIGHT: 270.35452
SMILES: CC1=C(N=CN1)CSCCNC(=NC)NC(=O)N
Structure:
CAS RN: 81353-09-5
CAS Name: (2R)-6-methyl-2-[(2R)-2-oxiranyl]-5-hepten-2-ol
OPENEYE Name: (2R)-6-methyl-2-[(2R)-oxiran-2-yl]hept-5-en-2-ol
IUPAC Name: (2R)-6-methyl-2-[(2R)-oxiran-2-yl]hept-5-en-2-ol
SYSTEMATIC NAME: (2R)-6-methyl-2-[(2R)-oxiran-2-yl]hept-5-en-2-ol
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CC(=CCC[C@](C)([C@H]1CO1)O)C
Structure:
CAS RN: 134329-94-5
CAS Name: 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
OPENEYE Name: 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxo-butanoic acid
IUPAC Name: 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[2-[(2S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-2-yl]ethoxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C33H52O5
MOLECULAR WEIGHT: 528.76298
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@]34C)CCOC(=O)CCC(=O)O)C
Structure:
CAS RN: 134327-81-4
CAS Name: (4-methoxyphenyl)-[5-methyl-6-[2-(4-morpholinyl)ethyl]-4-thieno[2,3-b]pyrrolyl]methanone
OPENEYE Name: (4-methoxyphenyl)-[5-methyl-6-(2-morpholinoethyl)thieno[2,3-b]pyrrol-4-yl]methanone
IUPAC Name: (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
SYSTEMATIC NAME: (4-methoxyphenyl)-[5-methyl-6-(2-morpholin-4-ylethyl)thieno[2,3-b]pyrrol-4-yl]methanone
MOLECULAR FORMULA: C21H24N2O3S
MOLECULAR WEIGHT: 384.49186
SMILES: CC1=C(C2=C(N1CCN3CCOCC3)SC=C2)C(=O)C4=CC=C(C=C4)OC
Structure:
CAS RN: 134296-40-5
CAS Name: N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-yl-1-benzimidazolecarboxamide hydrochloride
OPENEYE Name: 3-isopropyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-benzimidazole-1-carboxamide hydrochloride
IUPAC Name: N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide hydrochloride
SYSTEMATIC NAME: N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxidanylidene-3-propan-2-yl-benzimidazole-1-carboxamide hydrochloride
MOLECULAR FORMULA: C19H27ClN4O2
MOLECULAR WEIGHT: 378.89628
SMILES: CC(C)N1C2=CC=CC=C2N(C1=O)C(=O)NC3CC4CCC(C3)N4C.Cl
Structure:
CAS RN: 134287-58-4
CAS Name: 3-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
OPENEYE Name: 3-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
IUPAC Name: 3-(1,3-dihydroxypropan-2-yloxymethyl)-6-methyl-5H-imidazo[1,2-a]purin-9-one
SYSTEMATIC NAME: 3-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
MOLECULAR FORMULA: C12H15N5O4
MOLECULAR WEIGHT: 293.2786
SMILES: CC1=CN2C(=O)C3=C(N=C2N1)N(C=N3)COC(CO)CO
Structure:
CAS RN: 134283-52-6
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-[6-[[(2S)-2-amino-4-methyl-1-oxopentyl]-[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]hexyl]amino]-8-formamido-2-(phenylmethyl)octanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-[6-[[(2S)-2-amino-4-methyl-pentanoyl]-[(2S)-2-amino-3-phenyl-propanoyl]amino]hexyl]amino]-2-benzyl-8-formamido-octanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-[6-[[(2S)-2-amino-4-methylpentanoyl]-[(2S)-2-amino-3-phenylpropanoyl]amino]hexyl]amino]-2-benzyl-8-formamidooctanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]-[6-[[(2S)-2-azanyl-4-methyl-pentanoyl]-[(2S)-2-azanyl-3-phenyl-propanoyl]amino]hexyl]amino]-8-formamido-2-(phenylmethyl)octanoic acid
MOLECULAR FORMULA: C46H66N6O7
MOLECULAR WEIGHT: 815.05224
SMILES: CC(C)C[C@@H](C(=O)N(CCCCCCN(C(=O)[C@H](CC1=CC=C(C=C1)O)N)[C@@](CCCCCCNC=O)(CC2=CC=CC=C2)C(=O)O)C(=O)[C@H](CC3=CC=CC=C3)N)N
Structure:
CAS RN: 134278-77-6
CAS Name: 5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
OPENEYE Name: 5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
IUPAC Name: 5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
SYSTEMATIC NAME: 5-propoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CCCOC1=CC2=C(C=C1)NC=C2C3=CCNCC3
Structure:
CAS RN: 134254-12-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H10F3NO2
MOLECULAR WEIGHT: 257.20851
SMILES: C1C(C2C3=C(C1O2)C=CC=C3C(F)(F)F)NC=O
Structure:
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