(6S,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-3-[[1-[2-(methylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate

Systemtic Name: (6S,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-3-[[1-[2-(methylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxidanylidene-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate Openeye Name: (6S,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(cyclopentoxyimino)acetyl]amino]-3-[[1-[2-(methylamino)-2-oxo-ethyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate CAS Name: (6S,7S)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-cyclopentyloxyimino-1-oxoethyl]amino]-3-[[[1-[2-(methylamino)-2-oxoethyl]-4-pyridin-1-iumyl]thio]methyl]-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate IUPAC Name: (6S,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-cyclopentyloxyiminoacetyl]amino]-3-[[1-[2-(methylamino)-2-oxoethyl]pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate Traditional Name: (6S,7S)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-cyclopentyloximino-acetyl]amino]-8-keto-3-[[[1-[2-keto-2-(methylamino)ethyl]pyridin-1-ium-4-yl]thio]methyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid bisulfate Formula: C26H31N7O11S3 MolecularWeight: 713.75964

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C[N+]1=CC=C(C=C1)SCC2=C(N3C(CO2)C(C3=O)NC(=O)C(=NOC4CCCC4)C5=CSC(=N5)N)C(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

CNC(=O)C[N+]1=CC=C(C=C1)SCC2=C(N3[C@H](CO2)[C@@H](C3=O)NC(=O)/C(=N\OC4CCCC4)/C5=CSC(=N5)N)C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C26H29N7O7S2.H2O4S/c1-28-19(34)10-32-8-6-15(7-9-32)41-13-18-22(25(37)38)33-17(11-39-18)21(24(33)36)30-23(35)20(16-12-42-26(27)29-16)31-40-14-4-2-3-5-14;1-5(2,3)4/h6-9,12,14,17,21H,2-5,10-11,13H2,1H3,(H4-,27,28,29,30,34,35,37,38);(H2,1,2,3,4)/b31-20-;/t17-,21+;/m1./s1