(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[(E)-2-[(5S)-2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl]ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-3-[(E)-2-[(5S)-2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl]ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-[(E)-2-[(5S)-2,2-dimethylisoxazolidin-2-ium-5-yl]vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyimino-1-oxoethyl]amino]-3-[(E)-2-[(5S)-2,2-dimethyl-5-isoxazolidin-2-iumyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-3-[(E)-2-[(5S)-2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-3-[(E)-2-[(5S)-2,2-dimethylisoxazolidin-2-ium-5-yl]vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C23H29N6O8S2+ MolecularWeight: 581.64176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CC4CC[N+](O4)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/[C@@H]4CC[N+](O4)(C)C)C(=O)O

InChI

InChI=1S/C23H28N6O8S2/c1-23(2,21(34)35)37-27-14(13-10-39-22(24)25-13)17(30)26-15-18(31)28-16(20(32)33)11(9-38-19(15)28)5-6-12-7-8-29(3,4)36-12/h5-6,10,12,15,19H,7-9H2,1-4H3,(H4-,24,25,26,30,32,33,34,35)/p+1/b6-5+,27-14-/t12-,15-,19-/m1/s1