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

Systemtic Name: tert-butyl 2-[[2-(phenylmethoxycarbonylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-(benzyloxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-[(triphenylmethyl)thio]propyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(tritylthio)propanoyl]amino]acetic acid tert-butyl ester Formula: C36H38N2O5S MolecularWeight: 610.76232

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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)OCC4=CC=CC=C4

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)OCC4=CC=CC=C4

InChI

InChI=1S/C36H38N2O5S/c1-35(2,3)43-32(39)24-37-33(40)31(38-34(41)42-25-27-16-8-4-9-17-27)26-44-36(28-18-10-5-11-19-28,29-20-12-6-13-21-29)30-22-14-7-15-23-30/h4-23,31H,24-26H2,1-3H3,(H,37,40)(H,38,41)