(diphenylmethyl) 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-8-oxo-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-8-keto-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C52H46N8O7S4 MolecularWeight: 1023.23104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)SCSC7=NNN=C7)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)NC5C6N(C5=O)C(=C(CS6)SCSC7=NNN=C7)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C52H46N8O7S4/c1-51(2,3)66-50(64)56-49-54-38(30-69-49)41(58-67-52(35-23-13-6-14-24-35,36-25-15-7-16-26-36)37-27-17-8-18-28-37)45(61)55-42-46(62)60-43(39(31-68-47(42)60)70-32-71-40-29-53-59-57-40)48(63)65-44(33-19-9-4-10-20-33)34-21-11-5-12-22-34/h4-30,42,44,47H,31-32H2,1-3H3,(H,55,61)(H,53,57,59)(H,54,56,64)/b58-41-