CAS RN: 86827-89-6
CAS Name: [(2S,3R)-2-[(3S,5R,9R,10R,13R,17R)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylheptan-3-yl] dihydrogen phosphate
OPENEYE Name: [(1R)-1-[(1S)-1-[(3S,5R,9R,10R,13R,17R)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-hydroxy-4-methyl-pentyl] dihydrogen phosphate
IUPAC Name: [(2S,3R)-2-[(3S,5R,9R,10R,13R,17R)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylheptan-3-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(2S,3R)-2-[(3S,5R,9R,10R,13R,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-6-oxidanylidene-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-6-oxidanyl-heptan-3-yl] dihydrogen phosphate
MOLECULAR FORMULA: C27H45O8P
MOLECULAR WEIGHT: 528.615161
SMILES: C[C@@H]([C@H]1CCC2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)[C@@H](CCC(C)(C)O)OP(=O)(O)O
Structure:
CAS RN: 86819-20-7
CAS Name: 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 5-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C23H12Cl2N4O5
MOLECULAR WEIGHT: 495.27118
SMILES: C1=CC2=C(C=C1NC3=NC(=NC(=N3)Cl)Cl)C4(C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O)OC2=O
Structure:
CAS RN: 86803-24-9
CAS Name: (6R,8S,10S,11S,13S,14S,16R)-9-fluoro-6,11,16-trihydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (6R,8S,10S,11S,13S,14S,16R)-9-fluoro-6,11,16-trihydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (6R,8S,10S,11S,13S,14S,16R)-9-fluoro-6,11,16-trihydroxy-10,13,16-trimethyl-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (6R,8S,10S,11S,13S,14S,16R)-9-fluoranyl-10,13,16-trimethyl-6,11,16-tris(oxidanyl)-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C20H25FO5
MOLECULAR WEIGHT: 364.407903
SMILES: C[C@]12C[C@@H](C3([C@H]([C@@H]1C[C@@](C2=O)(C)O)C[C@H](C4=CC(=O)C=C[C@@]43C)O)F)O
Structure:
CAS RN: 86759-37-7
CAS Name: (4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-(carboxymethylamino)-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-4-(methylthio)-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-o
OPENEYE Name: (4S)-4-amino-5-[[(1S)-3-carboxy-1-[[(1S)-3-carboxy-1-[[(1S)-3-carboxy-1-[[(1S)-2-[[(1S)-1-[(2S)-2-[[(1S)-1-(carboxymethylcarbamoyl)-3-methylsulfanyl-propyl]carbamoyl]pyrrolidine-1-carbonyl]-3-methylsulfanyl-propyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-
IUPAC Name: (4S)-4-amino-5-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-(carboxymethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopr
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-(2-hydroxy-2-oxoethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxida
MOLECULAR FORMULA: C46H67N9O19S2
MOLECULAR WEIGHT: 1114.20308
SMILES: CSCC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 82117-51-9
CAS Name: 1-(4-fluorophenyl)-4-[4-(3-isoquinolinyl)-1-piperazinyl]-1-butanone
OPENEYE Name: 1-(4-fluorophenyl)-4-[4-(3-isoquinolyl)piperazin-1-yl]butan-1-one
IUPAC Name: 1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one
MOLECULAR FORMULA: C23H24FN3O
MOLECULAR WEIGHT: 377.454563
SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC4=CC=CC=C4C=N3
Structure:
CAS RN: 82117-52-0
CAS Name: 1-(4-fluorophenyl)-4-[4-(3-isoquinolinyl)-1-piperazinyl]-1-butanone hydrochloride
OPENEYE Name: 1-(4-fluorophenyl)-4-[4-(3-isoquinolyl)piperazin-1-yl]butan-1-one hydrochloride
IUPAC Name: 1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-(4-isoquinolin-3-ylpiperazin-1-yl)butan-1-one hydrochloride
MOLECULAR FORMULA: C23H25ClFN3O
MOLECULAR WEIGHT: 413.915503
SMILES: C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC4=CC=CC=C4C=N3.Cl
Structure:
CAS RN: 82085-94-7
CAS Name: 3-[4-[[4-(aminomethyl)cyclohexyl]-oxomethyl]phenyl]propanoic acid hydrochloride
OPENEYE Name: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid hydrochloride
IUPAC Name: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid hydrochloride
SYSTEMATIC NAME: 3-[4-[4-(aminomethyl)cyclohexyl]carbonylphenyl]propanoic acid hydrochloride
MOLECULAR FORMULA: C17H24ClNO3
MOLECULAR WEIGHT: 325.83036
SMILES: C1CC(CCC1CN)C(=O)C2=CC=C(C=C2)CCC(=O)O.Cl
Structure:
CAS RN: 82064-83-3
CAS Name: acetic acid [(1S)-1-[(2R,5R)-5-[(2R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]-2-oxolanyl]-2-oxolanyl]undecyl] ester
OPENEYE Name: [(1S)-1-[(2R,5R)-5-[(2R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]undecyl] acetate
IUPAC Name: [(1S)-1-[(2R,5R)-5-[(2R)-5-[(1R)-1-hydroxy-13-[(2S)-2-methyl-5-oxo-2H-furan-4-yl]tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate
SYSTEMATIC NAME: [(1S)-1-[(2R,5R)-5-[(2R)-5-[(1R)-13-[(2S)-2-methyl-5-oxidanylidene-2H-furan-4-yl]-1-oxidanyl-tridecyl]oxolan-2-yl]oxolan-2-yl]undecyl] ethanoate
MOLECULAR FORMULA: C39H68O7
MOLECULAR WEIGHT: 648.95302
SMILES: CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CCC(O2)[C@@H](CCCCCCCCCCCCC3=C[C@@H](OC3=O)C)O)OC(=O)C
Structure:
CAS RN: 82054-49-7
CAS Name: 2-(4-azidophenoxy)-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-azidophenoxy)-2-methyl-propanoate
IUPAC Name: ethyl 2-(4-azidophenoxy)-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-(4-azidophenoxy)-2-methyl-propanoate
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)N=[N+]=[N-]
Structure:
CAS RN: 86695-06-9
CAS Name: 2-(4-azidophenoxy)-2-methylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-(4-azidophenoxy)-2-methyl-propanoate
IUPAC Name: ethyl 2-(4-azidophenoxy)-2-methylpropanoate
SYSTEMATIC NAME: ethyl 2-(4-azidophenoxy)-2-methyl-propanoate
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: CCOC(=O)C(C)(C)OC1=CC=C(C=C1)N=[N+]=[N-]
Structure:
CAS RN: 82048-76-8
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6-nitro-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=C4[C@@]3(CC[C@@H](C4)O)C)[N+](=O)[O-])C
Structure:
CAS RN: 86689-92-1
CAS Name: 4-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinyl)amino]-4-oxobutanoic acid
OPENEYE Name: 4-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidyl)amino]-4-oxo-butanoic acid
IUPAC Name: 4-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-yl)amino]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H23N2O4
MOLECULAR WEIGHT: 271.33272
SMILES: CC1(CC(CC(N1[O])(C)C)NC(=O)CCC(=O)O)C
Structure:
CAS RN: 86688-93-9
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 6,8-bis[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O15
MOLECULAR WEIGHT: 594.5181
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O
Structure:
CAS RN: 86688-88-2
CAS Name: (8S,10S,11S,13S,14S,16R)-17-ethoxycarbonyloxy-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid chloromethyl ester
OPENEYE Name: chloromethyl (8S,10S,11S,13S,14S,16R)-17-ethoxycarbonyloxy-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
IUPAC Name: chloromethyl (8S,10S,11S,13S,14S,16R)-17-ethoxycarbonyloxy-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
SYSTEMATIC NAME: chloromethyl (8S,10S,11S,13S,14S,16R)-17-ethoxycarbonyloxy-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate
MOLECULAR FORMULA: C25H32ClFO7
MOLECULAR WEIGHT: 498.968783
SMILES: CCOC(=O)OC1([C@@H](C[C@@H]2[C@@]1(C[C@@H](C3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)OCCl
Structure:
CAS RN: 86668-63-5
CAS Name: 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-benzopyran-4-one
OPENEYE Name: 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one
IUPAC Name: 5,7,8-trihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
SYSTEMATIC NAME: 6-[(2S,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-(4-hydroxyphenyl)-5,7,8-tris(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C21H20O11
MOLECULAR WEIGHT: 448.3769
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O
Structure:
CAS RN: 86627-15-8
CAS Name: 4-[2-(propylamino)propyl]benzene-1,2-diol
OPENEYE Name: 4-[2-(propylamino)propyl]benzene-1,2-diol
IUPAC Name: 4-[2-(propylamino)propyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-(propylamino)propyl]benzene-1,2-diol
MOLECULAR FORMULA: C12H19NO2
MOLECULAR WEIGHT: 209.28476
SMILES: CCCNC(C)CC1=CC(=C(C=C1)O)O
Structure:
CAS RN: 865-71-4
CAS Name: acetic acid (N-nitrosoanilino)methyl ester
OPENEYE Name: (N-nitrosoanilino)methyl acetate
IUPAC Name: (N-nitrosoanilino)methyl acetate
SYSTEMATIC NAME: [nitroso(phenyl)amino]methyl ethanoate
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CC(=O)OCN(C1=CC=CC=C1)N=O
Structure:
CAS RN: 81927-47-1
CAS Name: 2,3-dihydro-1,4-benzodioxin-6,7-diamine
OPENEYE Name: 2,3-dihydro-1,4-benzodioxine-6,7-diamine
IUPAC Name: 2,3-dihydro-1,4-benzodioxine-6,7-diamine
SYSTEMATIC NAME: 2,3-dihydro-1,4-benzodioxine-6,7-diamine
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: C1COC2=C(O1)C=C(C(=C2)N)N
Structure:
CAS RN: 86562-58-5
CAS Name: (1S,4aR,11R,11aS,12aS)-3-acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
OPENEYE Name: (1S,4aR,11R,11aS,12aS)-3-acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
IUPAC Name: (1S,4aR,11R,11aS,12aS)-3-acetyl-1-amino-4,4a,6,7,11-pentahydroxy-8,11-dimethyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
SYSTEMATIC NAME: (1S,4aR,11R,11aS,12aS)-1-azanyl-3-ethanoyl-8,11-dimethyl-4,4a,6,7,11-pentakis(oxidanyl)-1,11a,12,12a-tetrahydrotetracene-2,5-dione
MOLECULAR FORMULA: C22H23NO8
MOLECULAR WEIGHT: 429.41992
SMILES: CC1=C(C2=C(C=C1)[C@]([C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C2O)O)O)C(=O)C)N)(C)O)O
Structure:
CAS RN: 81886-52-4
CAS Name: 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-2-propanol
OPENEYE Name: 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
IUPAC Name: 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
MOLECULAR FORMULA: C13H12Cl2N6O
MOLECULAR WEIGHT: 339.17998
SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)(CN3C=NC=N3)O
Structure:
CAS RN: 86513-61-3
CAS Name: (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
OPENEYE Name: (3bR,9bS)-9-hydroxy-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one
IUPAC Name: (3bR,9bS)-9-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
SYSTEMATIC NAME: (3bR,9bS)-6-methoxy-9b-methyl-9-oxidanyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: CC(C)C1=CC(=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O
Structure:
CAS RN: 81819-61-6
CAS Name: (2S,5R,6R)-6-[[2-[[[[(3,4-dihydroxyphenyl)-oxomethyl]-(3-hydroxypropyl)amino]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-[[(3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-[[(3,4-dihydroxybenzoyl)-(3-hydroxypropyl)carbamoyl]amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[2-[[[3,4-bis(oxidanyl)phenyl]carbonyl-(3-oxidanylpropyl)carbamoyl]amino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C27H30N4O9S
MOLECULAR WEIGHT: 586.6135
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N(CCCO)C(=O)C4=CC(=C(C=C4)O)O)C(=O)O)C
Structure:
CAS RN: 86471-03-6
CAS Name: (2S)-1-[(2S)-2-amino-2-(4-methylphenyl)sulfonyl-1-oxoethyl]-N-[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)-1-oxopentyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-1-[(2S)-2-amino-2-(p-tolylsulfonyl)acetyl]-N-[(2S)-5-guanidino-2-(4-nitroanilino)pentanoyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-1-[(2S)-2-amino-2-(4-methylphenyl)sulfonylacetyl]-N-[(2S)-5-(diaminomethylideneamino)-2-(4-nitroanilino)pentanoyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-1-[(2S)-2-azanyl-2-(4-methylphenyl)sulfonyl-ethanoyl]-N-[(2S)-5-[bis(azanyl)methylideneamino]-2-[(4-nitrophenyl)amino]pentanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C26H34N8O7S
MOLECULAR WEIGHT: 602.66256
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[C@@H](C(=O)N2CCC[C@H]2C(=O)NC(=O)[C@H](CCCN=C(N)N)NC3=CC=C(C=C3)[N+](=O)[O-])N
Structure:
CAS RN: 86454-13-9
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MOLECULAR FORMULA: C36H58O4
MOLECULAR WEIGHT: 554.84332
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@]1(C[C@]23CC[C@@H]4C5=C(CC[C@]4([C@@H]2CC[C@@H]1C3)C)OC=C5)O
Structure:
CAS RN: 81760-46-5
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MOLECULAR FORMULA: C36H58O4
MOLECULAR WEIGHT: 554.84332
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@]1(C[C@]23CC[C@@H]4C5=C(CC[C@]4([C@@H]2CC[C@@H]1C3)C)OC=C5)O
Structure:
CAS RN: 81760-45-4
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MOLECULAR FORMULA: C36H56O4
MOLECULAR WEIGHT: 552.82744
SMILES: CCCCCCCCCCCCCCCC(=O)OCC1(CC23CC[C@@H]4C5=C(C=CC4(C2CCC1C3)C)OC=C5)O
Structure:
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