(4S,7S)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-4-methyl-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (4S,7S)-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-4-methyl-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxidanylidene-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (4S,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-4-methyl-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (4S,7S)-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-4-methyl-3-[[(1-methyl-4-pyridin-1-iumyl)thio]methyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (4S,7S)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-4-methyl-3-[(1-methylpyridin-1-ium-4-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (4S,7S)-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-8-keto-4-methyl-3-[[(1-methylpyridin-1-ium-4-yl)thio]methyl]-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H27N6O8S2+ MolecularWeight: 591.63658

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N2C(O1)C(C2=O)NC(=O)C(=NOC(C)(C)C(=O)O)C3=CSC(=N3)N)C(=O)O)CSC4=CC=[N+](C=C4)C

Isomeric SMILES

C[C@H]1C(=C(N2C(O1)[C@@H](C2=O)NC(=O)/C(=N/OC(C)(C)C(=O)O)/C3=CSC(=N3)N)C(=O)O)CSC4=CC=[N+](C=C4)C

InChI

InChI=1S/C24H26N6O8S2/c1-11-13(9-39-12-5-7-29(4)8-6-12)17(21(33)34)30-19(32)16(20(30)37-11)27-18(31)15(14-10-40-23(25)26-14)28-38-24(2,3)22(35)36/h5-8,10-11,16,20H,9H2,1-4H3,(H4-,25,26,27,31,33,34,35,36)/p+1/b28-15+/t11-,16+,20?/m0/s1