(diphenylmethyl) 3-ethenyl-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-ethenyl-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-[1-[(tert-butoxycarbonylamino)methyl]propoxyimino]-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethenyl-7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yloxyimino]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-ethenyl-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yloxyimino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-[1-[(tert-butoxycarbonylamino)methyl]propyloximino]-2-(2-formamidothiazol-4-yl)acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C37H40N6O8S2 MolecularWeight: 760.8789

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)OC(C)(C)C)ON=C(C1=CSC(=N1)NC=O)C(=O)NC2C3N(C2=O)C(=C(CS3)C=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(CNC(=O)OC(C)(C)C)O/N=C(\C1=CSC(=N1)NC=O)/C(=O)NC2C3N(C2=O)C(=C(CS3)C=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C37H40N6O8S2/c1-6-22-19-52-33-28(32(46)43(33)29(22)34(47)49-30(23-14-10-8-11-15-23)24-16-12-9-13-17-24)41-31(45)27(26-20-53-35(40-26)39-21-44)42-51-25(7-2)18-38-36(48)50-37(3,4)5/h6,8-17,20-21,25,28,30,33H,1,7,18-19H2,2-5H3,(H,38,48)(H,41,45)(H,39,40,44)/b42-27+