Thursday, December 1, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (2S,4R)-4-[[2-[(1R,3R)-1-acetoxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methyl-pentanoic acid
CAS Name: (2S,4R)-4-[[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3R)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]-[(3-methyl-1-oxobutoxy)methyl]amino]pentyl]-4-thiazolyl]-oxomethyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
IUPAC NAME: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
SYSTEMATIC NAME: (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3R)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-hydroxyphenyl)-2-methyl-pentanoic acid
MOLECULAR FORMULA: C43H65N5O10S
MOLECULAR WEIGHT: 844.0687
SMILES: CC[C@@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C
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Product OPENEYE NAME: [[(3aR,4R,6R,6aR)-4-(4-amino-2-oxo-pyrimidin-1-yl)-2-benzyl-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-
CAS Name: [[(3aR,4R,6R,6aR)-4-(4-amino-2-oxo-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-hydroxyphosph
IUPAC NAME: [[(3aR,4R,6R,6aR)-4-(4-amino-2-oxopyrimidin-1-yl)-2-benzyl-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] hy
SYSTEMATIC NAME: [[(3aR,4R,6R,6aR)-4-(4-azanyl-2-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-oxid
MOLECULAR FORMULA: C26H33N5O22P4
MOLECULAR WEIGHT: 891.455564
SMILES: C1=CC=C(C=C1)CC2O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=CC(=NC4=O)N)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: 2-[(E)-(1-decyl-2-adamantylidene)amino]guanidine
CAS Name: 2-[(E)-(1-decyl-2-adamantylidene)amino]guanidine
IUPAC NAME: 2-[(E)-(1-decyl-2-adamantylidene)amino]guanidine
SYSTEMATIC NAME: 2-[(E)-(1-decyl-2-adamantylidene)amino]guanidine
MOLECULAR FORMULA: C21H38N4
MOLECULAR WEIGHT: 346.55322
SMILES: CCCCCCCCCCC1\2CC3CC(C1)CC(C3)/C2=N\N=C(N)N
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Product OPENEYE NAME: 2-[(E)-(1-tetradecyl-2-adamantylidene)amino]guanidine
CAS Name: 2-[(E)-(1-tetradecyl-2-adamantylidene)amino]guanidine
IUPAC NAME: 2-[(E)-(1-tetradecyl-2-adamantylidene)amino]guanidine
SYSTEMATIC NAME: 2-[(E)-(1-tetradecyl-2-adamantylidene)amino]guanidine
MOLECULAR FORMULA: C25H46N4
MOLECULAR WEIGHT: 402.65954
SMILES: CCCCCCCCCCCCCCC1\2CC3CC(C1)CC(C3)/C2=N\N=C(N)N
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C35H54O10
MOLECULAR WEIGHT: 634.79726
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(COCO5)C[C@@H]6[C@@H]([C@@H]7CC[C@H]([C@H]8[C@]79[C@H](O6)O[C@](CC8)(OO9)C)C)C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C43H61NO11
MOLECULAR WEIGHT: 767.94454
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)CC(C[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](CC7)(OO8)C)C)C)C(=O)NCC9=CC=C(C=C9)C(=O)OC)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C42H61NO9
MOLECULAR WEIGHT: 723.93504
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)CC(C[C@@H]5[C@@H]([C@@H]6CC[C@H]([C@H]7[C@]68[C@H](O5)O[C@](CC7)(OO8)C)C)C)C(=O)NCC9=CC=C(C=C9)C)C
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H23FIN3O2S
MOLECULAR WEIGHT: 611.468993
SMILES: CN1C2=C(C=CC(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC5=[N+](C6=CC=CC=C6C1=C54)C.[I-]
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C28H23FN3O2S+
MOLECULAR WEIGHT: 484.564523
SMILES: CN1C2=C(C=CC(=C2)N(C)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC5=[N+](C6=CC=CC=C6C1=C54)C
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Product OPENEYE NAME: 4-[[2-[4-chloro-3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
CAS Name: 4-[[2-[4-chloro-3-[[(2R)-1-methyl-2-pyrrolidinyl]methoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methyl-2-pyridinecarboxamide
IUPAC NAME: 4-[[2-[4-chloro-3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]anilino]-1,3-benzoxazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
SYSTEMATIC NAME: 4-[[2-[[4-chloranyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]amino]-1,3-benzoxazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide
MOLECULAR FORMULA: C26H26ClN5O4
MOLECULAR WEIGHT: 507.96874
SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)OC(=N3)NC4=CC(=C(C=C4)Cl)OC[C@H]5CCCN5C
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Product OPENEYE NAME: 2-[(E)-(1-octyl-2-adamantylidene)amino]guanidine
CAS Name: 2-[(E)-(1-octyl-2-adamantylidene)amino]guanidine
IUPAC NAME: 2-[(E)-(1-octyl-2-adamantylidene)amino]guanidine
SYSTEMATIC NAME: 2-[(E)-(1-octyl-2-adamantylidene)amino]guanidine
MOLECULAR FORMULA: C19H34N4
MOLECULAR WEIGHT: 318.50006
SMILES: CCCCCCCCC1\2CC3CC(C1)CC(C3)/C2=N\N=C(N)N
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Product OPENEYE NAME: [(2S,3S,4S,5S)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydro
CAS Name: 2-(methylamino)benzoic acid [(2S,3S,4S,5S)-2-(2,4-dioxo-1-pyrimidinyl)-5-[[[[[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydr
IUPAC NAME: [(2S,3S,4S,5S)-2-(2,4-dioxopyrimidin-1-yl)-5-[[[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] 2-(methylami
SYSTEMATIC NAME: [(2S,3S,4S,5S)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-5-[[[[[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymeth
MOLECULAR FORMULA: C26H33N5O24P4
MOLECULAR WEIGHT: 923.454364
SMILES: CNC1=CC=CC=C1C(=O)O[C@H]2[C@H]([C@@H](O[C@@H]2N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CC(=O)NC5=O)O)O)O
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Product OPENEYE NAME: 1-dodecyl-N-ethyl-adamantan-2-amine
CAS Name: 1-dodecyl-N-ethyl-2-adamantanamine
IUPAC NAME: 1-dodecyl-N-ethyladamantan-2-amine
SYSTEMATIC NAME: 1-dodecyl-N-ethyl-adamantan-2-amine
MOLECULAR FORMULA: C24H45N
MOLECULAR WEIGHT: 347.6208
SMILES: CCCCCCCCCCCCC12CC3CC(C1)CC(C3)C2NCC
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Product OPENEYE NAME: 2-[(E)-(1-hexyl-2-adamantylidene)amino]guanidine
CAS Name: 2-[(E)-(1-hexyl-2-adamantylidene)amino]guanidine
IUPAC NAME: 2-[(E)-(1-hexyl-2-adamantylidene)amino]guanidine
SYSTEMATIC NAME: 2-[(E)-(1-hexyl-2-adamantylidene)amino]guanidine
MOLECULAR FORMULA: C17H30N4
MOLECULAR WEIGHT: 290.4469
SMILES: CCCCCCC1\2CC3CC(C1)CC(C3)/C2=N\N=C(N)N
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Product OPENEYE NAME: 1-decyl-N-ethyl-adamantan-2-amine
CAS Name: 1-decyl-N-ethyl-2-adamantanamine
IUPAC NAME: 1-decyl-N-ethyladamantan-2-amine
SYSTEMATIC NAME: 1-decyl-N-ethyl-adamantan-2-amine
MOLECULAR FORMULA: C22H41N
MOLECULAR WEIGHT: 319.56764
SMILES: CCCCCCCCCCC12CC3CC(C1)CC(C3)C2NCC
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Product OPENEYE NAME: [(1S)-2-[4-[2-(3-benzoylphenyl)propanoyloxy]phenyl]-1-carboxy-ethyl]ammonium chloride
CAS Name: [(1S)-2-[4-[2-(3-benzoylphenyl)-1-oxopropoxy]phenyl]-1-carboxyethyl]ammonium chloride
IUPAC NAME: [(1S)-2-[4-[2-(3-benzoylphenyl)propanoyloxy]phenyl]-1-carboxyethyl]azanium chloride
SYSTEMATIC NAME: [(2S)-1-oxidanyl-1-oxidanylidene-3-[4-[2-[3-(phenylcarbonyl)phenyl]propanoyloxy]phenyl]propan-2-yl]azanium chloride
MOLECULAR FORMULA: C25H24ClNO5
MOLECULAR WEIGHT: 453.91476
SMILES: CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C[C@@H](C(=O)O)[NH3+].[Cl-]
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Product OPENEYE NAME: [[(3aS,4S,6S,6aS)-4-(2,4-dioxopyrimidin-1-yl)-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phosphoryl] [[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxy-phos
CAS Name: [[(3aS,4S,6S,6aS)-4-(2,4-dioxo-1-pyrimidinyl)-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aR,4R,6R,6aR)-4-(2,4-dioxo-1-pyrimidinyl)-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosph
IUPAC NAME: [[(3aS,4S,6S,6aS)-4-(2,4-dioxopyrimidin-1-yl)-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosphoryl] [[[(3aR,4R,6R,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-hydroxyphosph
SYSTEMATIC NAME: [[(3aS,4S,6S,6aS)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl] [[[(3aR,4R,6R,6aR)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-heptyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxo
MOLECULAR FORMULA: C34H54N4O23P4
MOLECULAR WEIGHT: 1010.700604
SMILES: CCCCCCCC1O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]4[C@H]5[C@@H]([C@H](O4)N6C=CC(=O)NC6=O)OC(O5)CCCCCCC
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Product OPENEYE NAME: 1-tetradecyladamantan-2-amine
CAS Name: 1-tetradecyl-2-adamantanamine
IUPAC NAME: 1-tetradecyladamantan-2-amine
SYSTEMATIC NAME: 1-tetradecyladamantan-2-amine
MOLECULAR FORMULA: C24H45N
MOLECULAR WEIGHT: 347.6208
SMILES: CCCCCCCCCCCCCCC12CC3CC(C1)CC(C3)C2N
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Product OPENEYE NAME: 1-benzyladamantan-2-amine
CAS Name: 1-(phenylmethyl)-2-adamantanamine
IUPAC NAME: 1-benzyladamantan-2-amine
SYSTEMATIC NAME: 1-(phenylmethyl)adamantan-2-amine
MOLECULAR FORMULA: C17H23N
MOLECULAR WEIGHT: 241.37122
SMILES: C1C2CC3CC1CC(C2)(C3N)CC4=CC=CC=C4
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