(6S,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-cyclopentyloxyimino-ethanoyl]amino]-8-oxidanylidene-3-[[1-(2-oxidanylidenepropyl)pyridin-1-ium-4-yl]sulfanylmethyl]-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]-8-oxidanylidene-3-[[1-(2-oxidanylidenepropyl)pyridin-1-ium-4-yl]sulfanylmethyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate Openeye Name: (6S,7S)-3-[(1-acetonylpyridin-1-ium-4-yl)sulfanylmethyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(cyclopentoxyimino)acetyl]amino]-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]-8-oxo-3-[[[1-(2-oxopropyl)-4-pyridin-1-iumyl]thio]methyl]-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]-8-oxo-3-[[1-(2-oxopropyl)pyridin-1-ium-4-yl]sulfanylmethyl]-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; hydrogen sulfate Traditional Name: (6S,7S)-3-[[(1-acetonylpyridin-1-ium-4-yl)thio]methyl]-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-cyclopentyloximino-acetyl]amino]-8-keto-4-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid bisulfate Formula: C26H30N6O11S3 MolecularWeight: 698.745

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C26H28N6O7S2.H2O4S/c1-14(33)10-31-8-6-16(7-9-31)40-13-19-22(25(36)37)32-18(11-38-19)21(24(32)35)29-23(34)20(17-12-41-26(27)28-17)30-39-15-4-2-3-5-15;1-5(2,3)4/h6-9,12,15,18,21H,2-5,10-11,13H2,1H3,(H3-,27,28,29,34,36,37);(H2,1,2,3,4)/b30-20-;/t18-,21+;/m1./s1