(diphenylmethyl) (6R,7R)-7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethylsulfanyl]-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-(triphenylmethyl)oxyimino-ethanoyl]amino]-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethylsulfanyl]-5,8-bis(oxidanylidene)-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloxyimino-acetyl]amino]-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethylsulfanyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-2-(triphenylmethyl)oxyiminoethyl]amino]-3-[[(2-methyl-1,2,4-triazol-3-yl)thio]methylthio]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-7-[[(2Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-trityloxyiminoacetyl]amino]-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethylsulfanyl]-5,8-dioxo-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-2-trityloximino-acetyl]amino]-5,8-diketo-3-[[(2-methyl-1,2,4-triazol-3-yl)thio]methylthio]-5$l^{4}-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C53H48N8O8S4 MolecularWeight: 1053.25702

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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=O)SCSC7=NC=NN7C)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)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6=O)SCSC7=NC=NN7C)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C53H48N8O8S4/c1-52(2,3)68-51(65)58-49-56-39(30-70-49)41(59-69-53(36-24-14-7-15-25-36,37-26-16-8-17-27-37)38-28-18-9-19-29-38)45(62)57-42-46(63)61-43(40(31-73(66)47(42)61)71-33-72-50-54-32-55-60(50)4)48(64)67-44(34-20-10-5-11-21-34)35-22-12-6-13-23-35/h5-30,32,42,44,47H,31,33H2,1-4H3,(H,57,62)(H,56,58,65)/b59-41-/t42-,47-,73?/m1/s1