CAS RN: 100440-25-3
CAS Name: 2-[(2S)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-hydroxyethyl]-2-oxiranyl]-2-oxoacetaldehyde
OPENEYE Name: 2-[(2S)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-hydroxy-ethyl]oxiran-2-yl]-2-oxo-acetaldehyde
IUPAC Name: 2-[(2S)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-hydroxyethyl]oxiran-2-yl]-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-[(2S)-2-[(1R)-2-[(1S,2S,3R,4aS,8aS)-1,2,4a,5-tetramethyl-3-oxidanyl-4-oxidanylidene-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl]-1-oxidanyl-ethyl]oxiran-2-yl]-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C20H28O6
MOLECULAR WEIGHT: 364.43272
SMILES: C[C@@H]1[C@H](C(=O)[C@]2([C@H]([C@]1(C)C[C@H]([C@@]3(CO3)C(=O)C=O)O)CCC=C2C)C)O
Structure:
CAS RN: 100414-80-0
CAS Name: (4'R)-4',6-dimethyl-1-spiro[benzo[g]isobenzofuran-3,2'-oxolane]one
OPENEYE Name: (4'R)-4',6-dimethylspiro[benzo[g]isobenzofuran-3,2'-tetrahydrofuran]-1-one
IUPAC Name: (4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
SYSTEMATIC NAME: (4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: C[C@@H]1CC2(C3=C(C4=C(C=C3)C(=CC=C4)C)C(=O)O2)OC1
Structure:
CAS RN: 100349-06-2
CAS Name: (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-oxolanecarboxaldehyde
OPENEYE Name: (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydrofuran-3-carbaldehyde
IUPAC Name: (2S,3S,5S)-2-methyl-5-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxolane-3-carbaldehyde
SYSTEMATIC NAME: (2S,3S,5S)-5-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-oxolane-3-carbaldehyde
MOLECULAR FORMULA: C27H26O11
MOLECULAR WEIGHT: 526.48874
SMILES: C[C@H]1[C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)C=O
Structure:
CAS RN: 100343-98-4
CAS Name: 7-(diethylamino)-2-oxo-1-benzopyran-3-carbohydrazide
OPENEYE Name: 7-(diethylamino)-2-oxo-chromene-3-carbohydrazide
IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbohydrazide
SYSTEMATIC NAME: 7-(diethylamino)-2-oxidanylidene-chromene-3-carbohydrazide
MOLECULAR FORMULA: C14H17N3O3
MOLECULAR WEIGHT: 275.30308
SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NN
Structure:
CAS RN: 100343-10-0
CAS Name: 4-amino-2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxy-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
OPENEYE Name: 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol
IUPAC Name: 4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol
SYSTEMATIC NAME: 2-[3-[6-(aminomethyl)-3-azanyl-4-fluoranyl-5-oxidanyl-oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-4-azanyl-6-(hydroxymethyl)oxane-3,5-diol
MOLECULAR FORMULA: C18H36FN5O9
MOLECULAR WEIGHT: 485.504943
SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)F)N)N
Structure:
CAS RN: 100343-09-7
CAS Name: 2-(aminomethyl)-6-[4,6-diamino-3-[[4-amino-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxycyclohexyl]oxy-4-fluorooxane-3,5-diol
OPENEYE Name: 2-(aminomethyl)-6-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-4-fluoro-tetrahydropyran-3,5-diol
IUPAC Name: 2-(aminomethyl)-6-[4,6-diamino-3-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-4-fluorooxane-3,5-diol
SYSTEMATIC NAME: 2-(aminomethyl)-6-[4,6-bis(azanyl)-3-[4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-4-fluoranyl-oxane-3,5-diol
MOLECULAR FORMULA: C18H35FN4O10
MOLECULAR WEIGHT: 486.489703
SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)F)O)O)OC3C(C(C(C(O3)CO)O)N)O)N
Structure:
CAS RN: 100343-04-2
CAS Name: (4S,5S,6S,7S,8S)-5-acetamido-4,6,8-trihydroxy-7-[[(3R)-3-hydroxy-1-oxobutyl]amino]-2-oxononanoic acid
OPENEYE Name: (4S,5S,6S,7S,8S)-5-acetamido-4,6,8-trihydroxy-7-[[(3R)-3-hydroxybutanoyl]amino]-2-oxo-nonanoic acid
IUPAC Name: (4S,5S,6S,7S,8S)-5-acetamido-4,6,8-trihydroxy-7-[[(3R)-3-hydroxybutanoyl]amino]-2-oxononanoic acid
SYSTEMATIC NAME: (4S,5S,6S,7S,8S)-5-acetamido-4,6,8-tris(oxidanyl)-7-[[(3R)-3-oxidanylbutanoyl]amino]-2-oxidanylidene-nonanoic acid
MOLECULAR FORMULA: C15H26N2O9
MOLECULAR WEIGHT: 378.37494
SMILES: C[C@H](CC(=O)N[C@@H]([C@H](C)O)[C@@H]([C@H]([C@H](CC(=O)C(=O)O)O)NC(=O)C)O)O
Structure:
CAS RN: 100333-39-9
CAS Name: (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-(3-pyridinyl)-3-pyrrolidinecarboxamide
OPENEYE Name: (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-(3-pyridyl)pyrrolidine-3-carboxamide
IUPAC Name: (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
SYSTEMATIC NAME: (2S,3S)-N-[2-(4-hydroxyphenyl)ethyl]-1-methyl-5-oxidanylidene-2-pyridin-3-yl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C19H21N3O3
MOLECULAR WEIGHT: 339.38834
SMILES: CN1[C@@H]([C@H](CC1=O)C(=O)NCCC2=CC=C(C=C2)O)C3=CN=CC=C3
Structure:
CAS RN: 100332-17-0
CAS Name: (3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
OPENEYE Name: (3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
IUPAC Name: (3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
SYSTEMATIC NAME: (3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
MOLECULAR FORMULA: C19H22FNO2
MOLECULAR WEIGHT: 315.381883
SMILES: COC1=CC=C(C=C1)OC[C@@H]2CNCC[C@H]2C3=CC=C(C=C3)F
Structure:
CAS RN: 100325-51-7
CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-pyridin-4-yl-3-quinolinecarboxylic acid
OPENEYE Name: 1-ethyl-6,8-difluoro-4-oxo-7-(4-pyridyl)quinoline-3-carboxylic acid
IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C17H12F2N2O3
MOLECULAR WEIGHT: 330.285586
SMILES: CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C3=CC=NC=C3)F)C(=O)O
Structure:
CAS RN: 82154-75-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30O9
MOLECULAR WEIGHT: 438.4682
SMILES: C[C@H]1CC(=O)[C@H]([C@]2(C1C[C@@H]3[C@]45[C@@H]2[C@]([C@@H]([C@@H]([C@H]4[C@H](C(=O)O3)OC(=O)C)C)O)(OC5)O)C)O
Structure:
CAS RN: 77469-44-4
CAS Name: 1-(2-chloroethyl)-3-[2-[2-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[2-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[2-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[2-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyldisulfanyl]ethyl]-1-nitroso-urea
MOLECULAR FORMULA: C10H18Cl2N6O4S2
MOLECULAR WEIGHT: 421.32372
SMILES: C(CSSCCNC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 81728-58-7
CAS Name: 1-(4-nitro-1-imidazolyl)-3-(1-oxido-1-piperidin-1-iumyl)-2-propanol
OPENEYE Name: 1-(4-nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol
IUPAC Name: 1-(4-nitroimidazol-1-yl)-3-(1-oxidopiperidin-1-ium-1-yl)propan-2-ol
SYSTEMATIC NAME: 1-(4-nitroimidazol-1-yl)-3-(1-oxidanidylpiperidin-1-ium-1-yl)propan-2-ol
MOLECULAR FORMULA: C11H18N4O4
MOLECULAR WEIGHT: 270.28502
SMILES: C1CC[N+](CC1)(CC(CN2C=C(N=C2)[N+](=O)[O-])O)[O-]
Structure:
CAS RN: 81617-83-6
CAS Name: [(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxolanyl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
OPENEYE Name: [(1R,2S,3S)-1-formyl-2,3,4-trihydroxy-butyl] [(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [(2R,3S,4S,5S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(2R,3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4S,5S)-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxolan-3-yl] [(2R,3S,4S)-3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl] hydrogen phosphate
MOLECULAR FORMULA: C17H31O18P
MOLECULAR WEIGHT: 554.391001
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O[C@@H](C=O)[C@H]([C@H](CO)O)O)O)CO)O)O)O)O
Structure:
CAS RN: 76970-77-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: CC12C3CCC(C1(C(=O)NC2=O)C)O3
Structure:
CAS RN: 76610-84-9
CAS Name: (6R,7S)-7-[[(2R,3S)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-3-hydroxy-butanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7S)-7-[[(2R,3S)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7S)-7-[[(2R,3S)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-3-oxidanyl-butanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C22H29N9O9S2
MOLECULAR WEIGHT: 627.65056
SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@]2([C@@H]3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O)OC
Structure:
CAS RN: 80752-33-6
CAS Name: (2R)-2-[4-(3-methyl-2-thiophenyl)phenyl]propanoic acid
OPENEYE Name: (2R)-2-[4-(3-methyl-2-thienyl)phenyl]propanoic acid
IUPAC Name: (2R)-2-[4-(3-methylthiophen-2-yl)phenyl]propanoic acid
SYSTEMATIC NAME: (2R)-2-[4-(3-methylthiophen-2-yl)phenyl]propanoic acid
MOLECULAR FORMULA: C14H14O2S
MOLECULAR WEIGHT: 246.32476
SMILES: CC1=C(SC=C1)C2=CC=C(C=C2)[C@@H](C)C(=O)O
Structure:
CAS RN: 80743-08-4
CAS Name: (2S,3S,5S)-5-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxolanecarboxaldehyde
OPENEYE Name: (2S,3S,5S)-5-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-tetrahydrofuran-3-carbaldehyde
IUPAC Name: (2S,3S,5S)-5-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxolane-3-carbaldehyde
SYSTEMATIC NAME: (2S,3S,5S)-5-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-oxolane-3-carbaldehyde
MOLECULAR FORMULA: C27H26O10
MOLECULAR WEIGHT: 510.48934
SMILES: C[C@H]1[C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)C=O
Structure:
CAS RN: 3506-09-0
CAS Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H27FO5
MOLECULAR WEIGHT: 378.434483
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O
Structure:
CAS RN: 338-95-4
CAS Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H27FO5
MOLECULAR WEIGHT: 378.434483
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O
Structure:
CAS RN: 100311-08-8
CAS Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide; (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide; (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide; (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-[(1R,2R)-1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide; (8S,9R,10S,11S,13S,14S,17R)-9-fluoranyl-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C32H39Cl2FN2O10
MOLECULAR WEIGHT: 701.563863
SMILES: C[C@]12C[C@@H]([C@]3([C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@@]43C)F)O.C1=CC(=CC=C1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
Structure:
CAS RN: 100305-59-7
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydropyridine-3,5-dicarboxylic acid O3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl] ester O5-methyl ester
OPENEYE Name: O3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydropyridine-3,5-dicarboxylate
IUPAC Name: 3-O-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl] O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-2,5-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C30H36N4O7
MOLECULAR WEIGHT: 564.62944
SMILES: CC1C(=C(C(C(=N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCN3CCN(CC3)C4=CC=CC=C4OC
Structure:
CAS RN: 100304-60-7
CAS Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
OPENEYE Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(1S)-2-[(2-amino-2-oxo-ethyl)amino]-1-benzyl-2-oxo-ethyl]-5-guanidino-pentanamide
IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(2-azanyl-2-oxidanylidene-ethyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-5-[bis(azanyl)methylideneamino]pentanamide
MOLECULAR FORMULA: C26H36N8O5
MOLECULAR WEIGHT: 540.61464
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N
Structure:
CAS RN: 100291-86-9
CAS Name: 1-[2-[[6-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-4-methoxyphenyl]ethanone
OPENEYE Name: 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4-methoxy-phenyl]ethanone
IUPAC Name: 1-[2-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[2-[6-[[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-phenyl]ethanone
MOLECULAR FORMULA: C20H28O12
MOLECULAR WEIGHT: 460.42912
SMILES: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O
Structure:
CAS RN: 100296-21-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N4O8
MOLECULAR WEIGHT: 488.49042
SMILES: C1[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@@H](C2=C(C=CC(=C2)C3=CC1=C(C=C3)O)O)O)C(=O)O)C[C@H](CN)O)N
Structure:
CAS RN: 100242-49-7
CAS Name: 2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid
OPENEYE Name: 2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid
IUPAC Name: 2-(6-aminopurin-9-yl)-5-(carboxymethyl)-3-hydroxy-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-(2-hydroxy-2-oxoethyl)-3-oxidanyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-carboxylic acid
MOLECULAR FORMULA: C14H15N5O7
MOLECULAR WEIGHT: 365.2982
SMILES: C1C2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)OC1(CC(=O)O)C(=O)O
Structure:
CAS RN: 100241-46-1
CAS Name: 3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
OPENEYE Name: 3-methoxy-6-[4-(m-tolyl)piperazin-1-yl]pyridazine
IUPAC Name: 3-methoxy-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
SYSTEMATIC NAME: 3-methoxy-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
MOLECULAR FORMULA: C16H20N4O
MOLECULAR WEIGHT: 284.3562
SMILES: CC1=CC(=CC=C1)N2CCN(CC2)C3=NN=C(C=C3)OC
Structure:
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