(6S,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-5-yl)-2-(2-oxidanylidenepyrrolidin-3-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S,7S)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-5-yl)-2-(2-oxidanylidenepyrrolidin-3-yl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S,7S)-7-[[(2Z)-2-(2-aminothiazol-5-yl)-2-(2-oxopyrrolidin-3-yl)oxyimino-acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S,7S)-7-[[(2Z)-2-(2-amino-5-thiazolyl)-1-oxo-2-[(2-oxo-3-pyrrolidinyl)oxyimino]ethyl]amino]-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S,7S)-7-[[(2Z)-2-(2-amino-1,3-thiazol-5-yl)-2-(2-oxopyrrolidin-3-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S,7S)-7-[[(2Z)-2-(2-aminothiazol-5-yl)-2-(2-ketopyrrolidin-3-yl)oximino-acetyl]amino]-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H22N7O6S2+ MolecularWeight: 544.58338

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C1ON=C(C2=CN=C(S2)N)C(=O)NC3C4N(C3=O)C(=C(CS4)C[N+]5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CNC(=O)C1O/N=C(\C2=CN=C(S2)N)/C(=O)N[C@@H]3[C@H]4N(C3=O)C(=C(CS4)C[N+]5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C22H21N7O6S2/c23-22-25-8-13(37-22)14(27-35-12-4-5-24-17(12)30)18(31)26-15-19(32)29-16(21(33)34)11(10-36-20(15)29)9-28-6-2-1-3-7-28/h1-3,6-8,12,15,20H,4-5,9-10H2,(H4-,23,24,25,26,27,30,31,33,34)/p+1/t12?,15-,20-/m0/s1