Monday, November 28, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1R)-1-[4-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-fluoro-phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarboxamide
CAS Name: N-[(1R)-1-[4-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-cyclopropanecarboxamide
IUPAC NAME: N-[(1R)-1-[4-[3,5-dichloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-[4-[3,5-bis(chloranyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-2-fluoranyl-phenyl]ethyl]-1-[2,2,2-tris(fluoranyl)ethanoylamino]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C22H17Cl2F7N2O3
MOLECULAR WEIGHT: 561.276802
SMILES: C[C@H](C1=C(C=C(C=C1)C2=CC(=CC(=C2OCC(F)(F)F)Cl)Cl)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F
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Product OPENEYE NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CAS Name: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-[(4-chlorophenyl)methyl]-1-piperazinecarboxamide
IUPAC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
SYSTEMATIC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
MOLECULAR FORMULA: C24H27ClFN5O4
MOLECULAR WEIGHT: 503.953683
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)Cl)F
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Product OPENEYE NAME: 4-[[(4-chlorophenyl)sulfonyl-(6,6-difluoro-2-oxo-azepan-3-yl)amino]methyl]-N-cyclopropyl-benzamide
CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(6,6-difluoro-2-oxo-3-azepanyl)amino]methyl]-N-cyclopropylbenzamide
IUPAC NAME: 4-[[(4-chlorophenyl)sulfonyl-(6,6-difluoro-2-oxoazepan-3-yl)amino]methyl]-N-cyclopropylbenzamide
SYSTEMATIC NAME: 4-[[[6,6-bis(fluoranyl)-2-oxidanylidene-azepan-3-yl]-(4-chlorophenyl)sulfonyl-amino]methyl]-N-cyclopropyl-benzamide
MOLECULAR FORMULA: C23H24ClF2N3O4S
MOLECULAR WEIGHT: 511.969166
SMILES: C1CC1NC(=O)C2=CC=C(C=C2)CN(C3CCC(CNC3=O)(F)F)S(=O)(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: (2S)-2-[[(2S,3S)-2-[[(4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-acetyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-thiazolidine-4-carbonyl]amino]-3-methyl-pentanoyl]amino]pentanediamide
CAS Name: (2S)-2-[[(2S,3S)-2-[[[(4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-5,5-dimethyl-4-thiazolidinyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]pentanediamide
IUPAC NAME: (2S)-2-[[(2S,3S)-2-[[(4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenylacetyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-3-methylpentanoyl]amino]pentanediamide
SYSTEMATIC NAME: (2S)-2-[[(2S,3S)-2-[[(4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamido-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]carbonylamino]-3-methyl-pentanoyl]amino]pentanediamide
MOLECULAR FORMULA: C43H62N8O9S
MOLECULAR WEIGHT: 867.06558
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H]1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3=CC=CC=C3)NC(=O)C)O)(C)C
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-3,3-dimethyl-1-oxobutyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazoli
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3,3-dimethylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5
MOLECULAR FORMULA: C41H67N7O8S2
MOLECULAR WEIGHT: 850.14278
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N)(C)C)O)C(C)(C)C)NC(=O)C
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Product OPENEYE NAME: N-[(3S,4S)-4-(hydroxycarbamoyl)-1-(2-methylallyl)pyrrolidin-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: (3S,4S)-N-hydroxy-1-(2-methylprop-2-enyl)-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-N-hydroxy-1-(2-methylprop-2-enyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-1-(2-methylprop-2-enyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-N-oxidanyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C27H30N4O4
MOLECULAR WEIGHT: 474.5515
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)CC(=C)C
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(2-furylmethyl)carbamimidoyl]acetamide
CAS Name: N-[amino(2-furanylmethylimino)methyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(furan-2-ylmethyl)carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(furan-2-ylmethyl)carbamimidoyl]ethanamide
MOLECULAR FORMULA: C27H27ClN4O3
MOLECULAR WEIGHT: 490.98128
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCC3=CC=CO3)N)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-[(2,3,4-trifluorophenyl)methyl]carbamimidoyl]acetamide
CAS Name: N-[amino-[(2,3,4-trifluorophenyl)methylimino]methyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-[(2,3,4-trifluorophenyl)methyl]carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-[[2,3,4-tris(fluoranyl)phenyl]methyl]carbamimidoyl]ethanamide
MOLECULAR FORMULA: C29H26ClF3N4O2
MOLECULAR WEIGHT: 554.99055
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCC3=C(C(=C(C=C3)F)F)F)N)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(2-thienylmethyl)carbamimidoyl]acetamide
CAS Name: N-[amino(thiophen-2-ylmethylimino)methyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(thiophen-2-ylmethyl)carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(thiophen-2-ylmethyl)carbamimidoyl]ethanamide
MOLECULAR FORMULA: C27H27ClN4O2S
MOLECULAR WEIGHT: 507.04688
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NCC3=CC=CS3)N)C4=CC=CC=C4Cl
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Product OPENEYE NAME: (4R,5S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-oxazolidine-5-carboxamide
CAS Name: (4R,5S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-5-oxazolidinecarboxamide
IUPAC NAME: (4R,5S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
SYSTEMATIC NAME: (4R,5S)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-4-(4-hydroxyphenyl)-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
MOLECULAR FORMULA: C23H18F2N2O4
MOLECULAR WEIGHT: 424.396826
SMILES: C1=CC(=CC=C1CNC(=O)[C@@H]2[C@H](N(C(=O)O2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)O)F
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Product OPENEYE NAME: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propyl]-N-methyl-isoquinoline-5-sulfonamide
CAS Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-N-methyl-5-isoquinolinesulfonamide
IUPAC NAME: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-N-methylisoquinoline-5-sulfonamide
SYSTEMATIC NAME: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propyl]-N-methyl-isoquinoline-5-sulfonamide
MOLECULAR FORMULA: C23H29N3O5S
MOLECULAR WEIGHT: 459.55846
SMILES: CN(CC(CNCCC1=CC(=C(C=C1)OC)OC)O)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
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Product OPENEYE NAME: (4R,5S)-5-[(1R)-2-(4-fluoroanilino)-1-hydroxy-ethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)oxazolidin-2-one
CAS Name: (4R,5S)-5-[(1R)-2-(4-fluoroanilino)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxazolidinone
IUPAC NAME: (4R,5S)-5-[(1R)-2-(4-fluoroanilino)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(4-fluorophenyl)-5-[(1R)-2-[(4-fluorophenyl)amino]-1-oxidanyl-ethyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C23H20F2N2O4
MOLECULAR WEIGHT: 426.412706
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](OC(=O)N2C3=CC=C(C=C3)F)[C@@H](CNC4=CC=C(C=C4)F)O)O
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