(diphenylmethyl) (6R,7R)-7-[[(2Z)-2-methoxyimino-2-[2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-7-[[(2Z)-2-methoxyimino-2-[2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]thiazol-4-yl]-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-methoxyimino-2-[2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-4-thiazolyl]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-7-[[(2Z)-2-methoxyimino-2-[2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]thiazol-4-yl]-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C36H40N6O8S2 MolecularWeight: 748.8682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC(=CS1)C(=NOC)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C36H40N6O8S2/c1-20(2)25(39-35(47)50-36(3,4)5)29(43)40-34-37-23(19-52-34)26(41-48-6)30(44)38-27-31(45)42-24(17-18-51-32(27)42)33(46)49-28(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-17,19-20,25,27-28,32H,18H2,1-6H3,(H,38,44)(H,39,47)(H,37,40,43)/b41-26-/t25-,27+,32+/m0/s1