Thursday, December 1, 2011

All Chemical Compounds Information



Product OPENEYE NAME: sodium [5-benzoyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate
CAS Name: sodium [5-benzoyl-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate
IUPAC NAME: sodium [5-benzoyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate
SYSTEMATIC NAME: sodium [2-(methoxycarbonylamino)-5-(phenylcarbonyl)benzimidazol-1-yl]methyl phosphate
MOLECULAR FORMULA: C17H14N3NaO7P-
MOLECULAR WEIGHT: 426.272491
SMILES: COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)C(=O)C3=CC=CC=C3.[Na+]
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MOLECULAR FORMULA: C41H64N2O11
MOLECULAR WEIGHT: 760.95366
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CC5(COC6(O5)CCN(CC6)C(=O)NC)C[C@@H]7[C@@H]([C@@H]8CC[C@H]([C@H]9[C@]81[C@H](O7)O[C@](CC9)(OO1)C)C)C)C
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MOLECULAR FORMULA: C39H60O12S
MOLECULAR WEIGHT: 752.9515
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@@](O3)(OO4)C)CC5(COC6(O5)CCS(=O)(=O)CC6)C[C@@H]7[C@@H]([C@@H]8CC[C@H]([C@H]9[C@]81[C@H](O7)O[C@](CC9)(OO1)C)C)C)C
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Product OPENEYE NAME: [[(3aR,4R,6R,6aR)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(3aS,4S,6S,6aS)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phos
CAS Name: [[(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aS,4S,6S,6aS)-4-(2,4-dioxo-1-pyrimidinyl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]metho
IUPAC NAME: [[(3aR,4R,6R,6aR)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aS,4S,6S,6aS)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosph
SYSTEMATIC NAME: [[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(3aS,4S,6S,6aS)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[
MOLECULAR FORMULA: C34H38N4O23P4
MOLECULAR WEIGHT: 994.573564
SMILES: C1=CC=C(C=C1)CC2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]5[C@H]6[C@@H]([C@H](O5)N7C=CC(=O)NC7=O)OC(O6)CC8=CC=CC=C8
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Product OPENEYE NAME: [[(3aR,4R,6R,6aS)-4-(2,4-dioxopyrimidin-1-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosp
CAS Name: [[(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyrimidinyl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrog
IUPAC NAME: [[(3aR,4R,6R,6aS)-4-(2,4-dioxopyrimidin-1-yl)-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrog
SYSTEMATIC NAME: [[(3aR,4R,6R,6aS)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(2S,3R,4S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosph
MOLECULAR FORMULA: C25H30N4O23P4
MOLECULAR WEIGHT: 878.413744
SMILES: C1=CC=C(C=C1)C2O[C@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]5[C@@H]([C@@H]([C@H](O5)N6C=CC(=O)NC6=O)O)O
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Product OPENEYE NAME: [[(3aS,4S,6S,6aS)-4-(6-aminopurin-9-yl)-2-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl]oxy-h
CAS Name: [[(3aS,4S,6S,6aS)-4-(6-aminopurin-9-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyph
IUPAC NAME: [[(3aS,4S,6S,6aS)-4-(6-aminopurin-9-yl)-2-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-benzyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl]oxy-hyd
SYSTEMATIC NAME: [[(3aS,4S,6S,6aS)-4-(6-aminopurin-9-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidany
MOLECULAR FORMULA: C36H40N10O19P4
MOLECULAR WEIGHT: 1040.653444
SMILES: C1=CC=C(C=C1)CC2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C4N=CN=C5N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]6[C@H]7[C@@H]([C@H](O6)N8C=NC9=C8N=CN=C9N)OC(O7)CC1=CC=CC=C1
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Product OPENEYE NAME: 2-[[2-[(4-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CAS Name: 2-[[oxo-[2-[(4-phenoxyphenyl)sulfamoyl]phenyl]methyl]amino]benzoic acid
IUPAC NAME: 2-[[2-[(4-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
SYSTEMATIC NAME: 2-[[2-[(4-phenoxyphenyl)sulfamoyl]phenyl]carbonylamino]benzoic acid
MOLECULAR FORMULA: C26H20N2O6S
MOLECULAR WEIGHT: 488.5118
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O
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Product OPENEYE NAME: 4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
CAS Name: 3-hydroxy-2,2-dimethyl-4-[(phenylmethyl)amino]-3,4-dihydrobenzo[g][1]benzopyran-5,10-dione
IUPAC NAME: 4-(benzylamino)-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione
SYSTEMATIC NAME: 2,2-dimethyl-3-oxidanyl-4-[(phenylmethyl)amino]-3,4-dihydrobenzo[g]chromene-5,10-dione
MOLECULAR FORMULA: C22H21NO4
MOLECULAR WEIGHT: 363.40644
SMILES: CC1(C(C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)NCC4=CC=CC=C4)O)C
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Product OPENEYE NAME: sodium [5-(benzenesulfinyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate
CAS Name: sodium [5-(benzenesulfinyl)-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate
IUPAC NAME: sodium [5-(benzenesulfinyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate
SYSTEMATIC NAME: sodium [2-(methoxycarbonylamino)-5-(phenylsulfinyl)benzimidazol-1-yl]methyl phosphate
MOLECULAR FORMULA: C16H14N3NaO7PS-
MOLECULAR WEIGHT: 446.326791
SMILES: COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)S(=O)C3=CC=CC=C3.[Na+]
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Product OPENEYE NAME: sodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate
CAS Name: sodium [2-(methoxycarbonylamino)-5-(propylthio)-1-benzimidazolyl]methyl phosphate
IUPAC NAME: sodium [2-(methoxycarbonylamino)-5-propylsulfanylbenzimidazol-1-yl]methyl phosphate
SYSTEMATIC NAME: sodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate
MOLECULAR FORMULA: C13H16N3NaO6PS-
MOLECULAR WEIGHT: 396.311171
SMILES: CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+]
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Product OPENEYE NAME: (2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]thiazole-4-carbonyl]amino]-5-phenyl-pentanoic acid
CAS Name: (2S,4R)-2-methyl-4-[[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-1-oxo-2-[[oxo-[(2R)-2-piperidinyl]methyl]amino]pentyl]amino]-1-oxopentyl]-4-thiazolyl]-oxomethyl]amino]-5-phenylpentanoic acid
IUPAC NAME: (2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid
SYSTEMATIC NAME: (2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-2-[[(2R)-piperidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]-1,3-thiazol-4-yl]carbonylamino]-5-phenyl-pentanoic acid
MOLECULAR FORMULA: C34H49N5O6S
MOLECULAR WEIGHT: 655.84776
SMILES: CC[C@@H](C)[C@@H](C(=O)N[C@H](CC(=O)C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)C(C)C)NC(=O)[C@H]3CCCCN3
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Product OPENEYE NAME: (2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]thiazole-4-carbonyl]amino]-5-phenyl-pentanoic acid
CAS Name: (2S,4R)-2-methyl-4-[[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-1-oxo-2-[[oxo-[(2S)-2-piperidinyl]methyl]amino]pentyl]amino]-1-oxopentyl]-4-thiazolyl]-oxomethyl]amino]-5-phenylpentanoic acid
IUPAC NAME: (2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid
SYSTEMATIC NAME: (2S,4R)-2-methyl-4-[[2-[(3R)-4-methyl-3-[[(2S,3R)-3-methyl-2-[[(2S)-piperidin-2-yl]carbonylamino]pentanoyl]amino]pentanoyl]-1,3-thiazol-4-yl]carbonylamino]-5-phenyl-pentanoic acid
MOLECULAR FORMULA: C34H49N5O6S
MOLECULAR WEIGHT: 655.84776
SMILES: CC[C@@H](C)[C@@H](C(=O)N[C@H](CC(=O)C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@H](C)C(=O)O)C(C)C)NC(=O)[C@@H]3CCCCN3
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Product OPENEYE NAME:
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IUPAC NAME:
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MOLECULAR FORMULA: C42H65NO12
MOLECULAR WEIGHT: 775.965
SMILES: CCOC(=O)N1CCC2(CC1)OCC(O2)(C[C@@H]3[C@@H]([C@@H]4CC[C@H]([C@H]5[C@]46[C@H](O3)O[C@](CC5)(OO6)C)C)C)C[C@@H]7[C@@H]([C@@H]8CC[C@H]([C@H]9[C@]81[C@H](O7)O[C@](CC9)(OO1)C)C)C
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Product OPENEYE NAME: [[(3aR,4R,6R,6aS)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosp
CAS Name: [[(3aR,4R,6R,6aS)-4-(2,4-dioxo-1-pyrimidinyl)-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl
IUPAC NAME: [[(3aR,4R,6R,6aS)-2-benzyl-4-(2,4-dioxopyrimidin-1-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrog
SYSTEMATIC NAME: [[(3aR,4R,6R,6aS)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylmethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(2S,3R,4S,5S)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidany
MOLECULAR FORMULA: C26H32N4O23P4
MOLECULAR WEIGHT: 892.440324
SMILES: C1=CC=C(C=C1)CC2O[C@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=O)NC4=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]5[C@@H]([C@@H]([C@H](O5)N6C=CC(=O)NC6=O)O)O
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