Saturday, December 3, 2011

All Chemical Compounds Information



Product OPENEYE NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxy-ethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-1-hydroxy-2-(methylamino)-2-oxo-ethyl]-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1
CAS Name: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-1-hydroxy-2-(methylamino)-2-oxoethyl]-27-[(3-hydroxy-1-oxotetradecyl)amino]-2,5,8,11,14,17,20,23,26-nonaox
IUPAC NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-aminobutyl)-15,24-bis(2-aminoethyl)-3-(2-chloro-1-hydroxyethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-1-hydroxy-2-(methylamino)-2-oxoethyl]-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-o
SYSTEMATIC NAME: 2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-18-(4-azanylbutyl)-15,24-bis(2-azanylethyl)-3-(2-chloranyl-1-oxidanyl-ethyl)-9-ethylidene-12-(1-hydroxyethyl)-6-[(1S)-2-(methylamino)-1-oxidanyl-2-oxidanylidene-ethyl]-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-27
MOLECULAR FORMULA: C52H90ClN13O18
MOLECULAR WEIGHT: 1220.8003
SMILES: CCCCCCCCCCCC(CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C\C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCN)CC(=O)O)CCCCN)CCN)C(C)O)[C@@H](C(=O)NC)O)C(CCl)O)O
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Product OPENEYE NAME: N-[2-[[(1S)-5-amino-1-[2-[4-(4-aminophenoxy)anilino]-2-oxo-acetyl]pentyl]amino]-2-oxo-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide
CAS Name: N-[2-[[(3S)-7-amino-1-[4-(4-aminophenoxy)anilino]-1,2-dioxoheptan-3-yl]amino]-2-oxoethyl]-2-[(2-cyanophenyl)thio]-N-methylbenzamide
IUPAC NAME: N-[2-[[(3S)-7-amino-1-[4-(4-aminophenoxy)anilino]-1,2-dioxoheptan-3-yl]amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide
SYSTEMATIC NAME: N-[2-[[(3S)-7-azanyl-1-[[4-(4-azanylphenoxy)phenyl]amino]-1,2-bis(oxidanylidene)heptan-3-yl]amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide
MOLECULAR FORMULA: C36H36N6O5S
MOLECULAR WEIGHT: 664.77324
SMILES: CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)N)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N
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Product OPENEYE NAME: 5-[(2-isopropoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-isothiazole
CAS Name: 3-methyl-5-[(4-methyl-1-piperazinyl)-(2-propan-2-yloxyphenyl)methyl]isothiazole
IUPAC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(2-propan-2-yloxyphenyl)methyl]-1,2-thiazole
SYSTEMATIC NAME: 3-methyl-5-[(4-methylpiperazin-1-yl)-(2-propan-2-yloxyphenyl)methyl]-1,2-thiazole
MOLECULAR FORMULA: C19H27N3OS
MOLECULAR WEIGHT: 345.50218
SMILES: CC1=NSC(=C1)C(C2=CC=CC=C2OC(C)C)N3CCN(CC3)C
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Product OPENEYE NAME: 5-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2,4-dimethyl-thiazole
CAS Name: 5-[(2-chlorophenyl)-(4-methyl-1-piperazinyl)methyl]-2,4-dimethylthiazole
IUPAC NAME: 5-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SYSTEMATIC NAME: 5-[(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
MOLECULAR FORMULA: C17H22ClN3S
MOLECULAR WEIGHT: 335.89468
SMILES: CC1=C(SC(=N1)C)C(C2=CC=CC=C2Cl)N3CCN(CC3)C
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Product OPENEYE NAME: 1-methyl-4-[phenyl(2-pyridyl)methyl]piperazine
CAS Name: 1-methyl-4-[phenyl(2-pyridinyl)methyl]piperazine
IUPAC NAME: 1-methyl-4-[phenyl(pyridin-2-yl)methyl]piperazine
SYSTEMATIC NAME: 1-methyl-4-[phenyl(pyridin-2-yl)methyl]piperazine
MOLECULAR FORMULA: C17H21N3
MOLECULAR WEIGHT: 267.36874
SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=N3
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Product OPENEYE NAME: 6-propyl-4-(3-pyridylmethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 6-propyl-4-(3-pyridinylmethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 6-propyl-4-(pyridin-3-ylmethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 6-propyl-4-(pyridin-3-ylmethoxy)-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C28H26N6O2
MOLECULAR WEIGHT: 478.54504
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)OCC5=CN=CC=C5
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Product OPENEYE NAME: 2-[4-[(2-butyl-6-oxo-1-pyridyl)methyl]phenyl]benzoic acid
CAS Name: 2-[4-[(2-butyl-6-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
IUPAC NAME: 2-[4-[(2-butyl-6-oxopyridin-1-yl)methyl]phenyl]benzoic acid
SYSTEMATIC NAME: 2-[4-[(2-butyl-6-oxidanylidene-pyridin-1-yl)methyl]phenyl]benzoic acid
MOLECULAR FORMULA: C23H23NO3
MOLECULAR WEIGHT: 361.43362
SMILES: CCCCC1=CC=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O
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Product OPENEYE NAME: 6-propyl-4-(2-pyridylmethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CAS Name: 6-propyl-4-(2-pyridinylmethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-pyridinone
IUPAC NAME: 6-propyl-4-(pyridin-2-ylmethoxy)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
SYSTEMATIC NAME: 6-propyl-4-(pyridin-2-ylmethoxy)-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
MOLECULAR FORMULA: C28H26N6O2
MOLECULAR WEIGHT: 478.54504
SMILES: CCCC1=CC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)OCC5=CC=CC=N5
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Product OPENEYE NAME: (2S)-2-[2-(6-methoxy-2-naphthyl)propanoylamino]-3-phenyl-propanoic acid
CAS Name: (2S)-2-[[2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid
IUPAC NAME: (2S)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C23H23NO4
MOLECULAR WEIGHT: 377.43302
SMILES: CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O
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