Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (2R)-2-[(4-acetamidobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(4-acetamidophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(4-acetamidobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(4-acetamidophenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H21N3O4
MOLECULAR WEIGHT: 379.40914
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloro-2-methyl-phenoxy)acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(4-chloro-2-methylphenoxy)acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-chloro-2-methylphenoxy)acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(4-chloranyl-2-methyl-phenoxy)ethanamide
MOLECULAR FORMULA: C20H22ClN3O2S
MOLECULAR WEIGHT: 403.92558
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2
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Product OPENEYE NAME: methyl (2R)-2-(cyclopentanecarbonylamino)-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[cyclopentyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-(cyclopentanecarbonylamino)-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-(cyclopentylcarbonylamino)-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C18H22N2O3
MOLECULAR WEIGHT: 314.37888
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCCC3
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Product OPENEYE NAME: methyl (2R)-2-[(2,3-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(2,3-dichlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(2,3-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[2,3-bis(chloranyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C19H16Cl2N2O3
MOLECULAR WEIGHT: 391.24794
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C(=CC=C3)Cl)Cl
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Product OPENEYE NAME: methyl (2R)-2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(2,5-dichlorophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C19H16Cl2N2O3
MOLECULAR WEIGHT: 391.24794
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C=CC(=C3)Cl)Cl
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Product OPENEYE NAME: methyl (2R)-2-[[4-(dimethylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[4-(dimethylamino)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[4-(dimethylamino)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[4-(dimethylamino)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H23N3O3
MOLECULAR WEIGHT: 365.42562
SMILES: CN(C)C1=CC=C(C=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[4-(difluoromethoxy)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[4-(difluoromethoxy)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[4-(difluoromethoxy)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[4-[bis(fluoranyl)methoxy]phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C20H18F2N2O4
MOLECULAR WEIGHT: 388.364726
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)OC(F)F
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Product OPENEYE NAME: (2S)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-methyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C23H27N3O5S2
MOLECULAR WEIGHT: 489.60758
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)OC
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Product OPENEYE NAME: N-[(1S,2S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C24H27N3O4S
MOLECULAR WEIGHT: 453.55388
SMILES: CC[C@H](C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-4-methoxy-benzamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methoxy-benzamide
MOLECULAR FORMULA: C24H27N3O5S
MOLECULAR WEIGHT: 469.55328
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: methyl (2R)-2-(cyclohexanecarbonylamino)-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[cyclohexyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-(cyclohexanecarbonylamino)-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-(cyclohexylcarbonylamino)-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C19H24N2O3
MOLECULAR WEIGHT: 328.40546
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCCCC3
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Product OPENEYE NAME: methyl (2R)-2-(hexanoylamino)-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-(1-oxohexylamino)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-(hexanoylamino)-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-(hexanoylamino)-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: CCCCCC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[3-(dimethylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[3-(dimethylsulfamoyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H23N3O5S
MOLECULAR WEIGHT: 429.48942
SMILES: CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-(1-adamantyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(1-adamantyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C24H30N2O3
MOLECULAR WEIGHT: 394.5066
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CC34CC5CC(C3)CC(C5)C4
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Product OPENEYE NAME: methyl (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[4-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[4-(dimethylsulfamoyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H23N3O5S
MOLECULAR WEIGHT: 429.48942
SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-[(4-fluorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(4-fluorophenyl)carbonylpiperidin-4-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H26FN3O4
MOLECULAR WEIGHT: 451.490043
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F
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Product OPENEYE NAME: methyl (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H25N3O6
MOLECULAR WEIGHT: 463.4825
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5
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Product OPENEYE NAME: methyl (2R)-2-[2-(4-bromophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(4-bromophenoxy)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[2-(4-bromophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(4-bromanylphenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H21BrN2O4
MOLECULAR WEIGHT: 445.30644
SMILES: CC(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)OC3=CC=C(C=C3)Br
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Product OPENEYE NAME: methyl (2R)-2-[[1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(4-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H27N3O4
MOLECULAR WEIGHT: 433.49958
SMILES: CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC
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Product OPENEYE NAME: N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide
MOLECULAR FORMULA: C24H27N3O4S
MOLECULAR WEIGHT: 453.55388
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)OC
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanamide
MOLECULAR FORMULA: C22H28N4O3S
MOLECULAR WEIGHT: 428.54772
SMILES: CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)C4CCCCC4C3=O
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