Monday, June 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 7-[[2-[3-[[2-(2-amino-2-carboxy-ethoxy)-2-oxo-ethyl]amino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-[3-[[2-(2-amino-2-carboxyethoxy)-2-oxoethyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-[3-[[2-(2-amino-2-carboxyethoxy)-2-oxoethyl]amino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-[3-[[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)-2-oxidanylidene-ethyl]amino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabi
MOLECULAR FORMULA: C30H35N11O11S2
MOLECULAR WEIGHT: 789.796
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)NCC(=O)OCC(C(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
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Product OPENEYE NAME: bis(2H-tetrazol-5-yl)methanone
CAS Name: bis(2H-tetrazol-5-yl)methanone
IUPAC NAME: bis(2H-tetrazol-5-yl)methanone
SYSTEMATIC NAME: bis(2H-1,2,3,4-tetrazol-5-yl)methanone
MOLECULAR FORMULA: C3H2N8O
MOLECULAR WEIGHT: 166.10098
SMILES: C1(=NNN=N1)C(=O)C2=NNN=N2
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Product OPENEYE NAME: 7-[[2-(3-aminophenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-(3-aminophenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(3-aminophenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-(3-aminophenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C25H28N10O7S2
MOLECULAR WEIGHT: 644.68262
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
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Product OPENEYE NAME: formaldehyde; iridium; tetrachloride
CAS Name: formaldehyde; iridium; tetrachloride
IUPAC NAME: formaldehyde; iridium; tetrachloride
SYSTEMATIC NAME: iridium; methanal; tetrachloride
MOLECULAR FORMULA: CH2Cl4IrO-4
MOLECULAR WEIGHT: 364.05498
SMILES: C=O.[Cl-].[Cl-].[Cl-].[Cl-].[Ir]
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Product OPENEYE NAME: 7-[[2-[4-[(2-amino-2-carboxy-ethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-[4-[[(2-amino-2-carboxyethoxy)-oxomethyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-3-[[[1-(sulfomethyl)-5-tetrazolyl]thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-3-[[1-(sulfomethyl)tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-3-[[1-(sulfomethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0
MOLECULAR FORMULA: C29H33N11O14S3
MOLECULAR WEIGHT: 855.83262
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)NC(=O)OCC(C(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5CS(=O)(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[4-[(tert-butoxycarbonylamino)methyl]anilino]acetic acid
CAS Name: 2-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]anilino]acetic acid
IUPAC NAME: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]anilino]acetic acid
SYSTEMATIC NAME: 2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]amino]ethanoic acid
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)NCC(=O)O
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Product OPENEYE NAME: 1,2,4-triazinane-5,6-dione
CAS Name: 1,2,4-triazinane-5,6-dione
IUPAC NAME: 1,2,4-triazinane-5,6-dione
SYSTEMATIC NAME: 1,2,4-triazinane-5,6-dione
MOLECULAR FORMULA: C3H5N3O2
MOLECULAR WEIGHT: 115.0907
SMILES: C1NC(=O)C(=O)NN1
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Product OPENEYE NAME: (4,5-dioxo-1,3,5-triazinan-5-ium-2-yl)methanesulfonic acid
CAS Name: (4,5-dioxo-1,3,5-triazinan-5-ium-2-yl)methanesulfonic acid
IUPAC NAME: (4,5-dioxo-1,3,5-triazinan-5-ium-2-yl)methanesulfonic acid
SYSTEMATIC NAME: [4,5-bis(oxidanylidene)-1,3,5-triazinan-5-ium-2-yl]methanesulfonic acid
MOLECULAR FORMULA: C4H8N3O5S+
MOLECULAR WEIGHT: 210.18842
SMILES: C1NC(NC(=O)[N+]1=O)CS(=O)(=O)O
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Product OPENEYE NAME: 7-[[2-[4-[(2-amino-2-carboxy-ethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[[1-[1-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-[4-[[(2-amino-2-carboxyethoxy)-oxomethyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[[[1-[1-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyli
IUPAC NAME: 7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[[1-[1-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-[4-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]phenyl]-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-3-[[1-[1-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-7-methoxy-8-oxidanylidene-5-th
MOLECULAR FORMULA: C33H42N12O12S2
MOLECULAR WEIGHT: 862.88978
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)NC(=O)OCC(C(=O)O)N)C(=O)NC3(C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C(C)N(C)C)C(=O)O)OC
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Product OPENEYE NAME: 7-amino-4-(bromomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-amino-4-(bromomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 7-amino-4-(bromomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 7-azanyl-4-(bromomethyl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C8H8BrN2O4S-
MOLECULAR WEIGHT: 308.12912
SMILES: C1=C(N2C(C(C2=O)N)S(=O)C1CBr)C(=O)[O-]
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Product OPENEYE NAME: 7-amino-4-(bromomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-amino-4-(bromomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-amino-4-(bromomethyl)-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-azanyl-4-(bromomethyl)-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C8H9BrN2O4S
MOLECULAR WEIGHT: 309.13706
SMILES: C1=C(N2C(C(C2=O)N)S(=O)C1CBr)C(=O)O
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Product OPENEYE NAME: 3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 3-(bromomethyl)-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-(bromomethyl)-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C9H8BrN2O4S-
MOLECULAR WEIGHT: 320.13982
SMILES: C1C(=C(N2C(S1)C(C2=O)NC=O)C(=O)[O-])CBr
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Product OPENEYE NAME: 7-[[(2Z)-2-(carboxymethoxyimino)-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2Z)-2-(carboxymethoxyimino)-1-oxo-2-(1,2,4-thiadiazol-3-yl)ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2Z)-2-(carboxymethoxyimino)-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[(2Z)-2-(2-hydroxy-2-oxoethyloxyimino)-2-(1,2,4-thiadiazol-3-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H11N5O7S2
MOLECULAR WEIGHT: 413.38574
SMILES: C1C=C(N2C(S1)C(C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=NSC=N3)C(=O)O
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Product OPENEYE NAME: 7-[[(2Z)-2-(carboxymethoxyimino)-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[(2Z)-2-(carboxymethoxyimino)-1-oxo-2-(1,2,4-thiadiazol-3-yl)ethyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[(2Z)-2-(carboxymethoxyimino)-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-7-[[(2Z)-2-(2-hydroxy-2-oxoethyloxyimino)-2-(1,2,4-thiadiazol-3-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H10ClN5O7S2
MOLECULAR WEIGHT: 447.8308
SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=NSC=N3)C(=O)O)Cl
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Product OPENEYE NAME: benzhydryl (2E)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-2-(1,2,4-thiadiazol-3-yl)acetate
CAS Name: (2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-(1,2,4-thiadiazol-3-yl)acetic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl (2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-(1,2,4-thiadiazol-3-yl)acetate
SYSTEMATIC NAME: (diphenylmethyl) (2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-2-(1,2,4-thiadiazol-3-yl)ethanoate
MOLECULAR FORMULA: C23H23N3O5S
MOLECULAR WEIGHT: 453.51082
SMILES: CC(C)(C)OC(=O)CO/N=C(\C1=NSC=N1)/C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3
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