(4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide

Systemtic Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-ethanoyl]amino]-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Openeye Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)imino-acetyl]amino]-3-[(E)-2-(2,2-dimethylisoxazolidin-2-ium-5-yl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-3-[(E)-2-(2,2-dimethyl-5-isoxazolidin-2-iumyl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-methoxyphenyl)methyl ester iodide IUPAC Name: (4-methoxyphenyl)methyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetyl]amino]-3-[(E)-2-(2,2-dimethyl-1,2-oxazolidin-2-ium-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate iodide Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(2-tert-butoxy-2-keto-1,1-dimethyl-ethyl)oximino-acetyl]amino]-3-[(E)-2-(2,2-dimethylisoxazolidin-2-ium-5-yl)vinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid p-anisyl ester iodide Formula: C35H45IN6O9S2 MolecularWeight: 884.80107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CC4CC[N+](O4)(C)C)C(=O)OCC5=CC=C(C=C5)OC.[I-]

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)/C=C/C4CC[N+](O4)(C)C)C(=O)OCC5=CC=C(C=C5)OC.[I-]

InChI

InChI=1S/C35H44N6O9S2.HI/c1-34(2,3)48-32(45)35(4,5)50-39-25(24-19-52-33(36)37-24)28(42)38-26-29(43)40-27(31(44)47-17-20-9-12-22(46-8)13-10-20)21(18-51-30(26)40)11-14-23-15-16-41(6,7)49-23;/h9-14,19,23,26,30H,15-18H2,1-8H3,(H2-,36,37,38,42);1H/b14-11+,39-25-;/t23?,26-,30-;/m1./s1