Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (2R)-2-[[1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C24H24ClN3O5
MOLECULAR WEIGHT: 469.91746
SMILES: COC1=C(C=C(C=C1)Cl)N2CC(CC2=O)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[1-(2-chlorophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(2-chlorophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(2-chlorophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C23H22ClN3O4
MOLECULAR WEIGHT: 439.89148
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CC(=O)N(C3)C4=CC=CC=C4Cl
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[1-(1-naphthyl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[1-(1-naphthalenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(1-naphthalen-1-yl-5-oxidanylidene-pyrrolidin-3-yl)carbonylamino]propanoate
MOLECULAR FORMULA: C27H25N3O4
MOLECULAR WEIGHT: 455.5051
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CC(=O)N(C3)C4=CC=CC5=CC=CC=C54
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[4-(2-methylpiperidin-1-yl)sulfonylphenyl]carbonylamino]propanoate
MOLECULAR FORMULA: C25H29N3O5S
MOLECULAR WEIGHT: 483.57986
SMILES: CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[2-(3-chlorophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[2-(3-chlorophenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(3-chloranylphenoxy)propanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H21ClN2O4
MOLECULAR WEIGHT: 400.85544
SMILES: CC(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)OC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(2-nitrophenoxy)ethanoylamino]propanoate
MOLECULAR FORMULA: C20H19N3O6
MOLECULAR WEIGHT: 397.38136
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: 2-chloro-N-[(1S)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C21H20ClN3O2S
MOLECULAR WEIGHT: 413.9204
SMILES: CCC1=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)-2-[[4-(4-ethylphenyl)thiazol-2-yl]amino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(4-ethylphenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C19H19N3O3S
MOLECULAR WEIGHT: 369.43746
SMILES: CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: methyl (2R)-2-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C23H27N3O5
MOLECULAR WEIGHT: 425.47758
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCN3C(=O)C4CCCCC4C3=O
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Product OPENEYE NAME: methyl (2R)-2-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C23H21N3O5
MOLECULAR WEIGHT: 419.42994
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O
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Product OPENEYE NAME: methyl (2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(3-ethylphenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-(3-ethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(3-ethylphenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CCC1=CC(=CC=C1)OCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: 2-chloro-N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C23H24ClN3O4S
MOLECULAR WEIGHT: 473.97236
SMILES: CC(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: (2S)-N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CAS Name: (2S)-N-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide
IUPAC NAME: (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C21H21N3O4S2
MOLECULAR WEIGHT: 443.53914
SMILES: COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-nitrobenzoyl)amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-nitrobenzoyl)amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-nitrophenyl)carbonylamino]propanoate
MOLECULAR FORMULA: C19H17N3O5
MOLECULAR WEIGHT: 367.35538
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2-fluoro-N-[(1S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethylcarbamoyl]-2-methyl-propyl]benzamide
CAS Name: 2-fluoro-N-[(2S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
IUPAC NAME: 2-fluoro-N-[(2S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[(2S)-1-[2-[(5Z)-5-[(2-fluorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C24H23F2N3O4S
MOLECULAR WEIGHT: 487.518926
SMILES: CC(C)[C@@H](C(=O)NCCN1C(=O)/C(=C/C2=CC=CC=C2F)/SC1=O)NC(=O)C3=CC=CC=C3F
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