Monday, June 24, 2013

All Chemical Compounds Information



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-[(2-methyl-3,4-dioxo-1,3,5-triazinan-3-ium-1-yl)sulfanylmethyl]-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-[[(2-methyl-3,4-dioxo-1,3,5-triazinan-3-ium-1-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic ac
IUPAC NAME: 7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(2-methyl-3,4-dioxo-1,3,5-triazinan-3-ium-1-yl)sulfanylmethyl]-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-[[2-methyl-3,4-bis(oxidanylidene)-1,3,5-triazinan-3-ium-1-yl]sulfanylmethyl]-8-oxidanylidene-5-th
MOLECULAR FORMULA: C31H37N10O13S2+
MOLECULAR WEIGHT: 821.81468
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)CSN5CNC(=O)[N+](=O)C5C)C(=O)O
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Product OPENEYE NAME: 7-[[2-[3-[(2-amino-2-carboxy-ethoxy)carbonylamino]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-amino-2-carboxyethoxy)-oxomethyl]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-amino-2-carboxyethoxy)carbonylamino]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-azanyl-3-oxidanyl-3-oxidanylidene-propoxy)carbonylamino]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-azabicyclo[4.2.0]oct-2-
MOLECULAR FORMULA: C29H33N11O11S2
MOLECULAR WEIGHT: 775.76942
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)NC(=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: 3-(acetoxymethyl)-7-[[2-[4-[(2-amino-2-carboxy-ethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 3-(acetyloxymethyl)-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-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 3-(acetyloxymethyl)-7-[[2-[4-[(2-amino-2-carboxyethoxy)carbonylamino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(acetyloxymethyl)-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-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C29H33N7O13S
MOLECULAR WEIGHT: 719.67642
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)COC(=O)C)C(=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-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-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-[2-(dimethylamino)ethyl]-5-tetrazolyl]thio]methyl]-8-oxo-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]-3-[[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylmethyl]-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-[2-(dimethylamino)ethyl]-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabi
MOLECULAR FORMULA: C32H40N12O11S2
MOLECULAR WEIGHT: 832.8638
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=NN5CCN(C)C)C(=O)O
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Product OPENEYE NAME: (1,6-dioxo-1,3,5-triazinan-1-ium-2-yl)methanesulfonic acid
CAS Name: (1,6-dioxo-1,3,5-triazinan-1-ium-2-yl)methanesulfonic acid
IUPAC NAME: (1,6-dioxo-1,3,5-triazinan-1-ium-2-yl)methanesulfonic acid
SYSTEMATIC NAME: [1,6-bis(oxidanylidene)-1,3,5-triazinan-1-ium-2-yl]methanesulfonic acid
MOLECULAR FORMULA: C4H8N3O5S+
MOLECULAR WEIGHT: 210.18842
SMILES: C1NC([N+](=O)C(=O)N1)CS(=O)(=O)O
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Product OPENEYE NAME: 7-[[2-(4-aminophenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-(4-aminophenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-(4-aminophenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 7-[[2-(4-aminophenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C22H24N6O7S
MOLECULAR WEIGHT: 516.52696
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)N)C(=O)NC3C4N(C3=O)C(=CCS4)C(=O)O
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Product OPENEYE NAME: (2Z)-2-[4-(tert-butoxycarbonylamino)phenyl]-2-hydroxyimino-acetic acid
CAS Name: (2Z)-2-hydroxyimino-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]acetic acid
IUPAC NAME: (2Z)-2-hydroxyimino-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
SYSTEMATIC NAME: (2Z)-2-hydroxyimino-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethanoic acid
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)/C(=N/O)/C(=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-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanylmethyl]-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-[[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)thio]methyl]-8-oxo-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]-3-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanylmethyl]-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-[(4-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]
MOLECULAR FORMULA: C30H35N10O11S2+
MOLECULAR WEIGHT: 775.7893
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=[N+](C=NN5)C)C(=O)O
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Product OPENEYE NAME: 7-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-[3-(methylamino)phenyl]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-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-[3-(methylamino)phenyl]-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-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-[3-(methylamino)phenyl]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-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-[3-(methylamino)phenyl]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: C26H30N10O7S2
MOLECULAR WEIGHT: 658.7092
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=CC=C2)NC)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
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Product OPENEYE NAME: 2-[4-[(tert-butoxycarbonylamino)methyl]phenyl]-2-oxo-acetic acid
CAS Name: 2-[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-2-oxoacetic acid
IUPAC NAME: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C14H17NO5
MOLECULAR WEIGHT: 279.28848
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)C(=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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-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]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-
MOLECULAR FORMULA: C30H33N9O11S3
MOLECULAR WEIGHT: 791.83172
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=C(S5)C)C(=O)O
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Product OPENEYE NAME: 2-(1,6-dioxo-1,3,5-triazinan-1-ium-2-yl)acetic acid
CAS Name: 2-(1,6-dioxo-1,3,5-triazinan-1-ium-2-yl)acetic acid
IUPAC NAME: 2-(1,6-dioxo-1,3,5-triazinan-1-ium-2-yl)acetic acid
SYSTEMATIC NAME: 2-[1,6-bis(oxidanylidene)-1,3,5-triazinan-1-ium-2-yl]ethanoic acid
MOLECULAR FORMULA: C5H8N3O4+
MOLECULAR WEIGHT: 174.13472
SMILES: C1NC([N+](=O)C(=O)N1)CC(=O)O
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Product OPENEYE NAME: 2-[4-(tert-butoxycarbonylamino)phenyl]-2-hydroxy-acetic acid
CAS Name: 2-hydroxy-2-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]acetic acid
IUPAC NAME: 2-hydroxy-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C13H17NO5
MOLECULAR WEIGHT: 267.27778
SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(C(=O)O)O
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