Tuesday, June 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
IUPAC NAME: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C9H12NO6S-
MOLECULAR WEIGHT: 262.25968
SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)(CO)C(=O)[O-])C
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Product OPENEYE NAME: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: 2-(hydroxymethyl)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C9H13NO6S
MOLECULAR WEIGHT: 263.26762
SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)(CO)C(=O)O)C
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Product OPENEYE NAME: 2-(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxy-2-methyl-hexanedioic acid
CAS Name: 2-[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl)-oxomethoxy]-2-methylhexanedioic acid
IUPAC NAME: 2-(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxy-2-methylhexanedioic acid
SYSTEMATIC NAME: 2-[[3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxy]-2-methyl-hexanedioic acid
MOLECULAR FORMULA: C15H21NO9S
MOLECULAR WEIGHT: 391.39354
SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OC(C)(CCCC(=O)O)C(=O)O)C
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Product OPENEYE NAME: O1-benzyl O4-[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl] cyclohexane-1,4-dicarboxylate
CAS Name: cyclohexane-1,4-dicarboxylic acid O4-[[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl)-oxomethoxy]methyl] ester O1-(phenylmethyl) ester
IUPAC NAME: 1-O-benzyl 4-O-[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl] cyclohexane-1,4-dicarboxylate
SYSTEMATIC NAME: O4-[[3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxymethyl] O1-(phenylmethyl) cyclohexane-1,4-dicarboxylate
MOLECULAR FORMULA: C24H29NO9S
MOLECULAR WEIGHT: 507.55336
SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OCOC(=O)C3CCC(CC3)C(=O)OCC4=CC=CC=C4)C
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Product OPENEYE NAME: methyl 3-(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)peroxy-2,2-dimethyl-3-oxo-propanoate
CAS Name: 3-[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl)-oxomethyl]dioxy-2,2-dimethyl-3-oxopropanoic acid methyl ester
IUPAC NAME: methyl 3-(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)peroxy-2,2-dimethyl-3-oxopropanoate
SYSTEMATIC NAME: methyl 3-[[3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonylperoxy]-2,2-dimethyl-3-oxidanylidene-propanoate
MOLECULAR FORMULA: C14H19NO9S
MOLECULAR WEIGHT: 377.36696
SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OOC(=O)C(C)(C)C(=O)OC)C
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Product OPENEYE NAME: O1-benzyl O6-[[6-(benzyloxycarbonylaminomethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl] hexanedioate
CAS Name: hexanedioic acid O6-[[[3,3-dimethyl-4,4,7-trioxo-6-(phenylmethoxycarbonylaminomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]-oxomethoxy]methyl] ester O1-(phenylmethyl) ester
IUPAC NAME: 1-O-benzyl 6-O-[[3,3-dimethyl-4,4,7-trioxo-6-(phenylmethoxycarbonylaminomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxymethyl] hexanedioate
SYSTEMATIC NAME: O6-[[3,3-dimethyl-4,4,7-tris(oxidanylidene)-6-(phenylmethoxycarbonylaminomethyl)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxymethyl] O1-(phenylmethyl) hexanedioate
MOLECULAR FORMULA: C31H36N2O11S
MOLECULAR WEIGHT: 644.68934
SMILES: CC1(C(N2C(S1(=O)=O)C(C2=O)CNC(=O)OCC3=CC=CC=C3)C(=O)OCOC(=O)CCCCC(=O)OCC4=CC=CC=C4)C
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Product OPENEYE NAME: 3-benzyloxy-2,2-dimethyl-3-oxo-propanoate
CAS Name: 2,2-dimethyl-3-oxo-3-phenylmethoxypropanoate
IUPAC NAME: 2,2-dimethyl-3-oxo-3-phenylmethoxypropanoate
SYSTEMATIC NAME: 2,2-dimethyl-3-oxidanylidene-3-phenylmethoxy-propanoate
MOLECULAR FORMULA: C12H13O4-
MOLECULAR WEIGHT: 221.22922
SMILES: CC(C)(C(=O)[O-])C(=O)OCC1=CC=CC=C1
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Product OPENEYE NAME: 6-[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethoxy]-6-oxo-hexanoate hydrate
CAS Name: 6-[[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl)-oxomethoxy]methoxy]-6-oxohexanoate hydrate
IUPAC NAME: 6-[(3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethoxy]-6-oxohexanoate hydrate
SYSTEMATIC NAME: 6-[[3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxymethoxy]-6-oxidanylidene-hexanoate hydrate
MOLECULAR FORMULA: C15H22NO10S-
MOLECULAR WEIGHT: 408.40088
SMILES: CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)OCOC(=O)CCCCC(=O)[O-])C.O
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Product OPENEYE NAME: hydroxy-[[hydroxy(oxo)stannanyl]oxyhexasulfanyl]oxy-oxo-tin
CAS Name: hydroxy-[[hydroxy(oxo)stannanyl]oxyhexasulfanyl]oxy-oxotin
IUPAC NAME: hydroxy-[[hydroxy(oxo)stannanyl]oxyhexasulfanyl]oxy-oxotin
SYSTEMATIC NAME: oxidanyl-oxidanylidene-[[oxidanyl(oxidanylidene)stannanyl]oxyhexasulfanyl]oxy-tin
MOLECULAR FORMULA: H2O6S6Sn2
MOLECULAR WEIGHT: 527.82228
SMILES: O[Sn](=O)OSSSSSSO[Sn](=O)O
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Product OPENEYE NAME: oxido-[[oxido(oxo)stannanyl]oxyhexasulfanyl]oxy-oxo-tin; tetradodecylphosphonium
CAS Name: oxido-[[oxido(oxo)stannanyl]oxyhexasulfanyl]oxy-oxotin; tetradodecylphosphonium
IUPAC NAME: oxido-[[oxido(oxo)stannanyl]oxyhexasulfanyl]oxy-oxotin; tetradodecylphosphanium
SYSTEMATIC NAME: oxidanidyl-[[oxidanidyl(oxidanylidene)stannanyl]oxyhexasulfanyl]oxy-oxidanylidene-tin; tetradodecylphosphanium
MOLECULAR FORMULA: C96H200O6P2S6Sn2
MOLECULAR WEIGHT: 1942.369122
SMILES: CCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCCCCC[P+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.[O-][Sn](=O)OSSSSSSO[Sn](=O)[O-]
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Product OPENEYE NAME: oxido-[[oxido(oxo)stannanyl]oxyhexasulfanyl]oxy-oxo-tin; tetramethylphosphonium
CAS Name: oxido-[[oxido(oxo)stannanyl]oxyhexasulfanyl]oxy-oxotin; tetramethylphosphonium
IUPAC NAME: oxido-[[oxido(oxo)stannanyl]oxyhexasulfanyl]oxy-oxotin; tetramethylphosphanium
SYSTEMATIC NAME: oxidanidyl-[[oxidanidyl(oxidanylidene)stannanyl]oxyhexasulfanyl]oxy-oxidanylidene-tin; tetramethylphosphanium
MOLECULAR FORMULA: C8H24O6P2S6Sn2
MOLECULAR WEIGHT: 708.030082
SMILES: C[P+](C)(C)C.C[P+](C)(C)C.[O-][Sn](=O)OSSSSSSO[Sn](=O)[O-]
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Product OPENEYE NAME: dimethyl-bis[(E)-octadec-1-enyl]phosphonium
CAS Name: dimethyl-bis[(E)-octadec-1-enyl]phosphonium
IUPAC NAME: dimethyl-bis[(E)-octadec-1-enyl]phosphanium
SYSTEMATIC NAME: dimethyl-bis[(E)-octadec-1-enyl]phosphanium
MOLECULAR FORMULA: C38H76P+
MOLECULAR WEIGHT: 563.983801
SMILES: CCCCCCCCCCCCCCCC/C=C/[P+](/C=C/CCCCCCCCCCCCCCCC)(C)C
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Product OPENEYE NAME: 4-benzyl-1-[2-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-4-(phenylmethyl)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 4-benzyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-4-(phenylmethyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H28N2O5
MOLECULAR WEIGHT: 376.44672
SMILES: CC(C(=O)N1CC(CC1C(=O)O)CC2=CC=CC=C2)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: 4-benzylsulfanylpyrrolidine-2-carboxylic acid
CAS Name: 4-(phenylmethylthio)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 4-benzylsulfanylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 4-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C12H15NO2S
MOLECULAR WEIGHT: 237.318
SMILES: C1C(CNC1C(=O)O)SCC2=CC=CC=C2
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Product OPENEYE NAME: 4-(benzylamino)-1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]-4-[(phenylmethyl)amino]-2-pyrrolidinecarboxylic acid
IUPAC NAME: 4-(benzylamino)-1-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-[(phenylmethyl)amino]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C25H31N3O5
MOLECULAR WEIGHT: 453.53074
SMILES: CC(C(=O)N1CC(CC1C(=O)O)NCC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: 1-[2-(tert-butoxycarbonylamino)propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C19H26N2O5S
MOLECULAR WEIGHT: 394.48514
SMILES: CC(C(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2)NC(=O)OC(C)(C)C
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Product OPENEYE NAME: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-4-methylsulfanyl-pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4-(methylthio)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-4-methylsulfanylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-methylsulfanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C21H30N2O5S
MOLECULAR WEIGHT: 422.5383
SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)SC
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Product OPENEYE NAME: 4-[benzyl(tert-butoxycarbonyl)amino]-1-benzyloxycarbonyl-pyrrolidine-2-carboxylic acid
CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-1-phenylmethoxycarbonyl-2-pyrrolidinecarboxylic acid
IUPAC NAME: 4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 4-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-1-phenylmethoxycarbonyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C25H30N2O6
MOLECULAR WEIGHT: 454.5155
SMILES: CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CC(N(C2)C(=O)OCC3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: 1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid
CAS Name: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-4-(4-fluorophenoxy)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-4-(4-fluorophenoxy)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]-4-(4-fluoranylphenoxy)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C26H31FN2O6
MOLECULAR WEIGHT: 486.532543
SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)OC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[2-[(1-benzyloxycarbonyl-3-phenyl-propyl)amino]propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
CAS Name: 1-[1-oxo-2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]propyl]-4-(phenylthio)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 1-[2-[(1-oxo-4-phenyl-1-phenylmethoxybutan-2-yl)amino]propanoyl]-4-phenylsulfanylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-[2-[(1-oxidanylidene-4-phenyl-1-phenylmethoxy-butan-2-yl)amino]propanoyl]-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C31H34N2O5S
MOLECULAR WEIGHT: 546.67706
SMILES: CC(C(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2)NC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: 1-benzyloxycarbonyl-4-benzylsulfanyl-pyrrolidine-2-carboxylic acid
CAS Name: 1-phenylmethoxycarbonyl-4-(phenylmethylthio)-2-pyrrolidinecarboxylic acid
IUPAC NAME: 4-benzylsulfanyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: 1-phenylmethoxycarbonyl-4-(phenylmethylsulfanyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H21NO4S
MOLECULAR WEIGHT: 371.45004
SMILES: C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)SCC3=CC=CC=C3
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