Sunday, November 27, 2011

http://ChemLookup.com Compounds




CAS RN: 75567-58-7
CAS Name: 1-methyl-3-nitro-5H-pyrido[4,3-b]indole
OPENEYE Name: 1-methyl-3-nitro-5H-pyrido[4,3-b]indole
IUPAC Name: 1-methyl-3-nitro-5H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 1-methyl-3-nitro-5H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C12H9N3O2
MOLECULAR WEIGHT: 227.21876
SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)[N+](=O)[O-]
Structure:

CAS RN: 75240-09-4
CAS Name: 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C13H13N3
MOLECULAR WEIGHT: 211.26242
SMILES: CCC1=C2C3=CC=CC=C3NC2=CC(=N1)N
Structure:

CAS RN: 75240-10-7
CAS Name: acetic acid; 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: acetic acid; 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: acetic acid; 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: ethanoic acid; 1-ethyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C15H17N3O2
MOLECULAR WEIGHT: 271.31438
SMILES: CCC1=C2C3=CC=CC=C3NC2=CC(=N1)N.CC(=O)O
Structure:

CAS RN: 74805-73-5
CAS Name: 2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 2-(3,5-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H10O6
MOLECULAR WEIGHT: 286.2363
SMILES: C1=C(C=C(C=C1O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
Structure:

CAS RN: 74805-72-4
CAS Name: 2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 2-(2,5-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[2,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H10O6
MOLECULAR WEIGHT: 286.2363
SMILES: C1=CC(=C(C=C1O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
Structure:

CAS RN: 74317-46-7
CAS Name: 1-methyl-3-nitroso-5H-pyrido[4,3-b]indole
OPENEYE Name: 1-methyl-3-nitroso-5H-pyrido[4,3-b]indole
IUPAC Name: 1-methyl-3-nitroso-5H-pyrido[4,3-b]indole
SYSTEMATIC NAME: 1-methyl-3-nitroso-5H-pyrido[4,3-b]indole
MOLECULAR FORMULA: C12H9N3O
MOLECULAR WEIGHT: 211.21936
SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)N=O
Structure:

CAS RN: 74011-11-3
CAS Name: 1,7-dimethyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: 1,7-dimethyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: 1,7-dimethyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: 1,7-dimethyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C13H13N3
MOLECULAR WEIGHT: 211.26242
SMILES: CC1=CC2=C(C=C1)C3=C(N=C(C=C3N2)N)C
Structure:

CAS RN: 74011-09-9
CAS Name: N,N-diethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: N,N-diethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: N,N-diethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: N,N-diethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C16H19N3
MOLECULAR WEIGHT: 253.34216
SMILES: CCN(CC)C1=NC(=C2C3=CC=CC=C3NC2=C1)C
Structure:

CAS RN: 142741-10-4
CAS Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole
OPENEYE Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole
IUPAC Name: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole
SYSTEMATIC NAME: 1-methyl-3,6,8-trinitro-9H-pyrido[3,4-b]indole
MOLECULAR FORMULA: C12H7N5O6
MOLECULAR WEIGHT: 317.21388
SMILES: CC1=C2C(=CC(=N1)[N+](=O)[O-])C3=CC(=CC(=C3N2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 74011-08-8
CAS Name: N-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
OPENEYE Name: N-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
IUPAC Name: N-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
SYSTEMATIC NAME: N-ethyl-1-methyl-5H-pyrido[4,3-b]indol-3-amine
MOLECULAR FORMULA: C14H15N3
MOLECULAR WEIGHT: 225.289
SMILES: CCNC1=NC(=C2C3=CC=CC=C3NC2=C1)C
Structure:

CAS RN: 74011-07-7
CAS Name: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)acetamide
OPENEYE Name: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)acetamide
IUPAC Name: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)acetamide
SYSTEMATIC NAME: N-(1-methyl-5H-pyrido[4,3-b]indol-3-yl)ethanamide
MOLECULAR FORMULA: C14H13N3O
MOLECULAR WEIGHT: 239.27252
SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)NC(=O)C
Structure:

CAS RN: 73840-51-4
CAS Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrate hydrochloride
OPENEYE Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrate hydrochloride
IUPAC Name: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrate hydrochloride
SYSTEMATIC NAME: 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole hydrate hydrochloride
MOLECULAR FORMULA: C13H15ClN2O2
MOLECULAR WEIGHT: 266.7234
SMILES: CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC.O.Cl
Structure:

CAS RN: 73818-17-4
CAS Name: 5-iodo-3-(methylhydrazo)-2-indolone
OPENEYE Name: 5-iodo-3-(2-methylhydrazino)indol-2-one
IUPAC Name: 5-iodo-3-(2-methylhydrazinyl)indol-2-one
SYSTEMATIC NAME: 5-iodanyl-3-(2-methylhydrazinyl)indol-2-one
MOLECULAR FORMULA: C9H8IN3O
MOLECULAR WEIGHT: 301.08379
SMILES: CNNC1=C2C=C(C=CC2=NC1=O)I
Structure:

CAS RN: 73818-16-3
CAS Name: N'-(5-iodo-2-oxo-3-indolyl)acetohydrazide
OPENEYE Name: N'-(5-iodo-2-oxo-indol-3-yl)acetohydrazide
IUPAC Name: N'-(5-iodo-2-oxoindol-3-yl)acetohydrazide
SYSTEMATIC NAME: N'-(5-iodanyl-2-oxidanylidene-indol-3-yl)ethanehydrazide
MOLECULAR FORMULA: C10H8IN3O2
MOLECULAR WEIGHT: 329.09389
SMILES: CC(=O)NNC1=C2C=C(C=CC2=NC1=O)I
Structure:

CAS RN: 64535-97-3
CAS Name: benzene-1,2-dicarboxylic acid bis[(2S)-octan-2-yl] ester
OPENEYE Name: bis[(1S)-1-methylheptyl] benzene-1,2-dicarboxylate
IUPAC Name: bis[(2S)-octan-2-yl] benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis[(2S)-octan-2-yl] benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CCCCCC[C@H](C)OC(=O)C1=CC=CC=C1C(=O)O[C@@H](C)CCCCCC
Structure:

CAS RN: 86271-88-7
CAS Name: (E)-1-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-2-diazonioethenolate
OPENEYE Name: (E)-1-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-2-diazonio-ethenolate
IUPAC Name: (E)-1-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-2-diazonioethenolate
SYSTEMATIC NAME: (E)-2-diazonio-1-[[(8S,9S,10R,11R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]ethenolate
MOLECULAR FORMULA: C23H30N2O4
MOLECULAR WEIGHT: 398.4953
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O/C(=C/[N+]#N)/[O-])C
Structure:

CAS RN: 86271-56-9
CAS Name: 2-amino-6-imino-5-(phenylhydrazo)-3-pyridinone
OPENEYE Name: 2-amino-6-imino-5-(2-phenylhydrazino)pyridin-3-one
IUPAC Name: 2-amino-6-imino-5-(2-phenylhydrazinyl)pyridin-3-one
SYSTEMATIC NAME: 2-azanyl-6-azanylidene-5-(2-phenylhydrazinyl)pyridin-3-one
MOLECULAR FORMULA: C11H11N5O
MOLECULAR WEIGHT: 229.23794
SMILES: C1=CC=C(C=C1)NNC2=CC(=O)C(=NC2=N)N
Structure:

CAS RN: 86248-85-3
CAS Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-phenylmethoxypropanoic acid
OPENEYE Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-benzyloxy-propanoic acid
IUPAC Name: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylmethoxypropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[2-[[(2R)-2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-phenylmethoxy-propanoic acid
MOLECULAR FORMULA: C33H39N5O8
MOLECULAR WEIGHT: 633.69146
SMILES: C[C@H](C(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](COCC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
Structure:

CAS RN: 85550-66-9
CAS Name: (2S,5R,6R)-6-[[2-[[[2-(4-formyl-1-piperazinyl)-5-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-6-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-6-[[2-[[2-(4-formylpiperazin-1-yl)-5-oxo-8H-pyrido[2,3-d]pyrimidine-6-carbonyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[[2-(4-hydroxyphenyl)-2-[[2-(4-methanoylpiperazin-1-yl)-5-oxidanylidene-8H-pyrido[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C29H30N8O8S
MOLECULAR WEIGHT: 650.6623
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=CNC5=NC(=NC=C5C4=O)N6CCN(CC6)C=O)C(=O)O)C
Structure:

CAS RN: 36653-54-0
CAS Name: (E)-bis(3-methyl-2-phenyl-1-imidazo[1,2-a]pyridin-4-iumyl)diazene
OPENEYE Name: (E)-bis(3-methyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-1-yl)diazene
IUPAC Name: (E)-bis(3-methyl-2-phenylimidazo[1,2-a]pyridin-4-ium-1-yl)diazene
SYSTEMATIC NAME: (E)-bis(3-methyl-2-phenyl-imidazo[1,2-a]pyridin-4-ium-1-yl)diazene
MOLECULAR FORMULA: C28H24N6+2
MOLECULAR WEIGHT: 444.53036
SMILES: CC1=C(N(C2=CC=CC=[N+]12)/N=N/N3C4=CC=CC=[N+]4C(=C3C5=CC=CC=C5)C)C6=CC=CC=C6
Structure:

CAS RN: 84890-90-4
CAS Name: [(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)-1-oxobutyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid
OPENEYE Name: [(1R)-1-[[(1S)-1-benzyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-2-oxo-ethyl]amino]-2-(4-hydroxyphenyl)ethyl]phosphonic acid
IUPAC Name: [(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]ethyl]phosphonic acid
SYSTEMATIC NAME: [(1R)-2-(4-hydroxyphenyl)-1-[[(2S)-1-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethyl]phosphonic acid
MOLECULAR FORMULA: C23H32N3O6P
MOLECULAR WEIGHT: 477.490441
SMILES: CC(C)[C@@H](C(=O)NC(=O)[C@H](CC1=CC=CC=C1)N[C@@H](CC2=CC=C(C=C2)O)P(=O)(O)O)NC
Structure:

CAS RN: 84869-39-6
CAS Name: 7-methyl-2,4-dioxo-1H-benzo[g]pteridine-8-carboxylic acid
OPENEYE Name: 7-methyl-2,4-dioxo-1H-benzo[g]pteridine-8-carboxylic acid
IUPAC Name: 7-methyl-2,4-dioxo-1H-benzo[g]pteridine-8-carboxylic acid
SYSTEMATIC NAME: 7-methyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridine-8-carboxylic acid
MOLECULAR FORMULA: C12H8N4O4
MOLECULAR WEIGHT: 272.21632
SMILES: CC1=CC2=C(C=C1C(=O)O)N=C3C(=N2)C(=O)NC(=O)N3
Structure:

CAS RN: 84869-38-5
CAS Name: 8-methyl-2,4-dioxo-1H-benzo[g]pteridine-7-carboxylic acid
OPENEYE Name: 8-methyl-2,4-dioxo-1H-benzo[g]pteridine-7-carboxylic acid
IUPAC Name: 8-methyl-2,4-dioxo-1H-benzo[g]pteridine-7-carboxylic acid
SYSTEMATIC NAME: 8-methyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridine-7-carboxylic acid
MOLECULAR FORMULA: C12H8N4O4
MOLECULAR WEIGHT: 272.21632
SMILES: CC1=CC2=C(C=C1C(=O)O)N=C3C(=N2)NC(=O)NC3=O
Structure:

CAS RN: 84614-60-8
CAS Name: N-[(2S)-1-[[(2S)-2-amino-1-oxopropyl]-[(2S)-1-oxo-1-(6-quinolinylamino)propan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[(1S)-2-[[(2S)-2-aminopropanoyl]-[(1S)-1-methyl-2-oxo-2-(6-quinolylamino)ethyl]amino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[(2S)-1-[[(2S)-2-aminopropanoyl]-[(2S)-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2S)-1-[[(2S)-2-azanylpropanoyl]-[(2S)-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C26H29N5O5
MOLECULAR WEIGHT: 491.53896
SMILES: C[C@@H](C(=O)N([C@@H](C)C(=O)NC1=CC2=C(C=C1)N=CC=C2)C(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)N
Structure:

CAS RN: 84371-05-1
CAS Name: 5-hydroxy-4-$l^{1}-oxidanyl-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
OPENEYE Name: 5-hydroxy-4-$l^{1}-oxidanyl-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
IUPAC Name: 5-hydroxy-4-$l^{1}-oxidanyl-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
SYSTEMATIC NAME: 4-$l^{1}-oxidanyl-5-oxidanyl-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid
MOLECULAR FORMULA: C14H7N2O8
MOLECULAR WEIGHT: 331.21398
SMILES: C1=C(C2=C(C(=C(C3=C2NC(=C3)C(=O)O)[O])O)N=C1C(=O)O)C(=O)O
Structure:

CAS RN: 16617-07-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NO4
MOLECULAR WEIGHT: 355.4275
SMILES: COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1
Structure:

CAS RN: 84268-42-8
CAS Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-1,4-dioxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]propanoic acid
OPENEYE Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxo-butanoyl]amino]propanoyl]amino]acetyl]amino]propanoic acid
IUPAC Name: (2S)-2-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]acetyl]amino]propanoic acid
SYSTEMATIC NAME: (2S)-2-[2-[[(2S)-2-[[(2S)-2,4-bis(azanyl)-4-oxidanylidene-butanoyl]amino]propanoyl]amino]ethanoylamino]propanoic acid
MOLECULAR FORMULA: C12H21N5O6
MOLECULAR WEIGHT: 331.32504
SMILES: C[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)N)N
Structure:

CAS RN: 84080-55-7
CAS Name: (6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-1-oxo-2-(3-pyrazolylidene)ethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylidene-acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-7-[[(2Z)-2-(carboxymethoxyamino)-2-pyrazol-3-ylideneacetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-7-[[(2Z)-2-(2-hydroxy-2-oxoethyloxyamino)-2-pyrazol-3-ylidene-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: C17H17N9O7S2
MOLECULAR WEIGHT: 523.50298
SMILES: CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=C/4\C=CN=N4)/NOCC(=O)O)SC2)C(=O)O
Structure:

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