Product OPENEYE NAME: (11-chloro-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate
CAS Name: heptanoic acid (11-chloro-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) ester
IUPAC NAME: (11-chloro-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate
SYSTEMATIC NAME: (11-chloranyl-13-ethyl-17-ethynyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) heptanoate
MOLECULAR FORMULA: C28H37ClO3
MOLECULAR WEIGHT: 457.04458
SMILES: CCCCCCC(=O)OC1(C=CC2C1(CC(C3C2CCC4=CC(=O)CCC34)Cl)CC)C#C
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Product OPENEYE NAME: (11-chloro-13-ethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) acetate
CAS Name: acetic acid (11-chloro-13-ethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) ester
IUPAC NAME: (11-chloro-13-ethyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (11-chloranyl-13-ethyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C24H29ClO3
MOLECULAR WEIGHT: 400.93826
SMILES: CCC12CC(C3C(C1C=CC2(C#CC)OC(=O)C)CCC4=CC(=O)CCC34)Cl
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Product OPENEYE NAME: [11-chloro-17-(2-chloroethynyl)-13-ethyl-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
CAS Name: propanoic acid [11-chloro-17-(2-chloroethynyl)-13-ethyl-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [11-chloro-17-(2-chloroethynyl)-13-ethyl-3-oxo-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
SYSTEMATIC NAME: [11-chloranyl-17-(2-chloranylethynyl)-13-ethyl-3-oxidanylidene-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
MOLECULAR FORMULA: C24H28Cl2O3
MOLECULAR WEIGHT: 435.38332
SMILES: CCC(=O)OC1(C=CC2C1(CC(C3C2CCC4=CC(=O)CCC34)Cl)CC)C#CCl
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Product OPENEYE NAME: tert-butyl N-[(4-acetylphenyl)methyl]carbamate
CAS Name: N-[(4-acetylphenyl)methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(4-acetylphenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(4-ethanoylphenyl)methyl]carbamate
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CC(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C
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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-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-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-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(aminocarbonyloxymethyl)-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: C28H32N8O13S
MOLECULAR WEIGHT: 720.66448
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)N)C(=O)O
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Product OPENEYE NAME: 2-(4,5-dioxo-1,3,5-triazinan-5-ium-2-yl)acetic acid
CAS Name: 2-(4,5-dioxo-1,3,5-triazinan-5-ium-2-yl)acetic acid
IUPAC NAME: 2-(4,5-dioxo-1,3,5-triazinan-5-ium-2-yl)acetic acid
SYSTEMATIC NAME: 2-[4,5-bis(oxidanylidene)-1,3,5-triazinan-5-ium-2-yl]ethanoic acid
MOLECULAR FORMULA: C5H8N3O4+
MOLECULAR WEIGHT: 174.13472
SMILES: C1NC(NC(=O)[N+]1=O)CC(=O)O
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Product OPENEYE NAME: 1-[3-(methylamino)phenyl]ethanol
CAS Name: 1-[3-(methylamino)phenyl]ethanol
IUPAC NAME: 1-[3-(methylamino)phenyl]ethanol
SYSTEMATIC NAME: 1-[3-(methylamino)phenyl]ethanol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC(C1=CC(=CC=C1)NC)O
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Product OPENEYE NAME: 7-[[2-(4-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-(4-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-(4-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-(4-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=C(C=C2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
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Product OPENEYE NAME: 1-[4-(aminomethyl)phenyl]ethanone; ethylene
CAS Name: 1-[4-(aminomethyl)phenyl]ethanone; ethene
IUPAC NAME: 1-[4-(aminomethyl)phenyl]ethanone; ethene
SYSTEMATIC NAME: 1-[4-(aminomethyl)phenyl]ethanone; ethene
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: CC(=O)C1=CC=C(C=C1)CN.C=C
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Product OPENEYE NAME: (2Z)-2-[3-(tert-butoxycarbonylamino)phenyl]-2-hydroxyimino-acetic acid
CAS Name: (2Z)-2-hydroxyimino-2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]acetic acid
IUPAC NAME: (2Z)-2-hydroxyimino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
SYSTEMATIC NAME: (2Z)-2-hydroxyimino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethanoic acid
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: CC(C)(C)OC(=O)NC1=CC=CC(=C1)/C(=N/O)/C(=O)O
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Product OPENEYE NAME: 7-[[2-[4-[amino(2-carboxyethoxycarbonyl)amino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 7-[[2-[4-[amino-[2-carboxyethoxy(oxo)methyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
IUPAC NAME: 7-[[2-[4-[amino(2-carboxyethoxycarbonyl)amino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: 3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-7-[[2-[4-[azanyl(3-hydroxy-3-oxopropyloxycarbonyl)amino]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-carboxylate
MOLECULAR FORMULA: C33H35N9O12S
MOLECULAR WEIGHT: 781.7491
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)N(C(=O)OCCC(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=C(C=C5)C(=O)N)C(=O)[O-]
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Product OPENEYE NAME: 7-[[2-[4-[amino(2-carboxyethoxycarbonyl)amino]phenyl]-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CAS Name: 7-[[2-[4-[amino-[2-carboxyethoxy(oxo)methyl]amino]phenyl]-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC NAME: 7-[[2-[4-[amino(2-carboxyethoxycarbonyl)amino]phenyl]-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-7-[[2-[4-[azanyl(3-hydroxy-3-oxopropyloxycarbonyl)amino]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 a
MOLECULAR FORMULA: C33H36N9O12S+
MOLECULAR WEIGHT: 782.75704
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)N(C(=O)OCCC(=O)O)N)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=C(C=C5)C(=O)N)C(=O)O
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Product OPENEYE NAME: 7-[[2-[4-(aminomethyl)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-[4-(aminomethyl)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-[4-(aminomethyl)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-[4-(aminomethyl)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-ene-2-carboxylic acid
MOLECULAR FORMULA: C26H30N10O7S2
MOLECULAR WEIGHT: 658.7092
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)CN)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O
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Product OPENEYE NAME: 7-[[2-[4-[1,1-diamino-2-(2-carboxyethoxy)-2-oxo-ethyl]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-[4-[1,1-diamino-2-(2-carboxyethoxy)-2-oxoethyl]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-[4-[1,1-diamino-2-(2-carboxyethoxy)-2-oxoethyl]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-[4-[1,1-bis(azanyl)-2-(3-hydroxy-3-oxopropyloxy)-2-oxidanylidene-ethyl]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.
MOLECULAR FORMULA: C30H35N11O11S2
MOLECULAR WEIGHT: 789.796
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)C(C(=O)OCCC(=O)O)(N)N)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)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-methyltetrazol-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-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-[(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-[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-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=C(C=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]-7-methoxy-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]-7-methoxy-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]-7-methoxy-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]-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C30H35N7O14S
MOLECULAR WEIGHT: 749.7024
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)COC(=O)C)C(=O)O)OC
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Product OPENEYE NAME: 7-[[2-(4-aminophenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-3-(carbamoyloxymethyl)-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]-3-(carbamoyloxymethyl)-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]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(aminocarbonyloxymethyl)-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: C24H27N7O9S
MOLECULAR WEIGHT: 589.57768
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)N)C(=O)O
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Product OPENEYE NAME: 7-[[2-[4-[amino(2-carboxyethoxycarbonyl)amino]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: 7-[[2-[4-[amino-[2-carboxyethoxy(oxo)methyl]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: 7-[[2-[4-[amino(2-carboxyethoxycarbonyl)amino]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: 7-[[2-[4-[azanyl(3-hydroxy-3-oxopropyloxycarbonyl)amino]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: C26H29N7O11S
MOLECULAR WEIGHT: 647.61376
SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)N(C(=O)OCCC(=O)O)N)C(=O)NC3C4N(C3=O)C(=CCS4)C(=O)O
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Product OPENEYE NAME: 2-[3-(tert-butoxycarbonylamino)phenyl]-2-oxo-acetic acid
CAS Name: 2-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-oxoacetic acid
IUPAC NAME: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C13H15NO5
MOLECULAR WEIGHT: 265.2619
SMILES: CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)C(=O)O
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Product OPENEYE NAME: (2Z)-2-[3-[tert-butoxycarbonyl(methyl)amino]phenyl]-2-hydroxyimino-acetic acid
CAS Name: (2Z)-2-hydroxyimino-2-[3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]acetic acid
IUPAC NAME: (2Z)-2-hydroxyimino-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
SYSTEMATIC NAME: (2Z)-2-hydroxyimino-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CC(C)(C)OC(=O)N(C)C1=CC=CC(=C1)/C(=N/O)/C(=O)O
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Product OPENEYE NAME: 2-amino-2-[3-[tert-butoxycarbonyl(methyl)amino]phenyl]acetic acid
CAS Name: 2-amino-2-[3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]acetic acid
IUPAC NAME: 2-amino-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]acetic acid
SYSTEMATIC NAME: 2-azanyl-2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethanoic acid
MOLECULAR FORMULA: C14H20N2O4
MOLECULAR WEIGHT: 280.3196
SMILES: CC(C)(C)OC(=O)N(C)C1=CC=CC(=C1)C(C(=O)O)N
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