Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-2-[[4-(4-tert-butylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(4-tert-butylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)C(C)(C)C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[1-methyl-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxopropan-2-yl]thio]-1-oxoethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoylamino]propanoate
MOLECULAR FORMULA: C21H24N4O5S
MOLECULAR WEIGHT: 444.50406
SMILES: CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[2-[(4-chlorophenyl)sulfonyl-methyl-amino]acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-[(4-chlorophenyl)sulfonyl-methyl-amino]ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H22ClN3O5S
MOLECULAR WEIGHT: 463.93448
SMILES: CN(CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[(1S)-1-benzyl-2-[[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]amino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C25H23N3O4S
MOLECULAR WEIGHT: 461.53282
SMILES: CC1=C(N=C(S1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: methyl (2R)-2-[[1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H27N3O4
MOLECULAR WEIGHT: 433.49958
SMILES: CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C
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Product OPENEYE NAME: 2-chloro-N-[(1S)-1-methyl-2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[[4-(4-methylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C20H18ClN3O2S
MOLECULAR WEIGHT: 399.89382
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(4-methylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C18H17N3O3S
MOLECULAR WEIGHT: 355.41088
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C20H21N3O4S
MOLECULAR WEIGHT: 399.46344
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)OC)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: (2S)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-methyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-[4-(4-methoxyphenyl)-2-thiazolyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C22H25N3O4S2
MOLECULAR WEIGHT: 459.5816
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: methyl (2R)-2-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C22H22N4O5
MOLECULAR WEIGHT: 422.43388
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]
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Product OPENEYE NAME: 2,6-difluoro-N-[(1S)-2-methyl-1-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]propyl]benzamide
CAS Name: 2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]butan-2-yl]benzamide
IUPAC NAME: 2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butan-2-yl]benzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-[2-(2-phenylphenoxy)ethanoyl]hydrazinyl]butan-2-yl]benzamide
MOLECULAR FORMULA: C26H25F2N3O4
MOLECULAR WEIGHT: 481.491206
SMILES: CC(C)[C@@H](C(=O)NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F
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Product OPENEYE NAME: N-[(1S)-1-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide
CAS Name: N-[(2S)-1-[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide
MOLECULAR FORMULA: C21H24FN3O5
MOLECULAR WEIGHT: 417.430763
SMILES: CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=C(C=C2)F
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Product OPENEYE NAME: 2-chloro-N-[(1S)-2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C21H20ClN3O4S
MOLECULAR WEIGHT: 445.9192
SMILES: C[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(1S)-2-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C19H19N3O5S
MOLECULAR WEIGHT: 401.43626
SMILES: C[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[2-(3,4-dimethoxyphenyl)carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C21H24FN3O5
MOLECULAR WEIGHT: 417.430763
SMILES: CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: N-[(1S)-1-[[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[[[4-[(4-chlorophenoxy)methyl]phenyl]-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[2-[4-[(4-chlorophenoxy)methyl]benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[2-[4-[(4-chloranylphenoxy)methyl]phenyl]carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C26H25ClFN3O4
MOLECULAR WEIGHT: 497.945803
SMILES: CC(C)[C@@H](C(=O)NNC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: (2S)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[4-(4-methoxyphenyl)-5-methyl-2-thiazolyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C23H27N3O5S2
MOLECULAR WEIGHT: 489.60758
SMILES: CC1=C(N=C(S1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: N-[(1S)-1-[[[3-(dimethylsulfamoyl)benzoyl]amino]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[[[3-(dimethylsulfamoyl)phenyl]-oxomethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[2-[3-(dimethylsulfamoyl)benzoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[2-[3-(dimethylsulfamoyl)phenyl]carbonylhydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C21H25FN4O5S
MOLECULAR WEIGHT: 464.510403
SMILES: CC(C)[C@@H](C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)NC(=O)C2=CC=CC=C2F
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