tert-butyl 2-[[2-[(diphenylmethyl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-[(diphenylmethyl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[2-[[(diphenylmethyl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-(benzhydryloxycarbonylamino)-3-(tritylthio)propanoyl]amino]acetic acid tert-butyl ester Formula: C42H42N2O5S MolecularWeight: 686.85828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C42H42N2O5S/c1-41(2,3)49-37(45)29-43-39(46)36(44-40(47)48-38(31-19-9-4-10-20-31)32-21-11-5-12-22-32)30-50-42(33-23-13-6-14-24-33,34-25-15-7-16-26-34)35-27-17-8-18-28-35/h4-28,36,38H,29-30H2,1-3H3,(H,43,46)(H,44,47)