(phenylmethyl) 3-phenyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-phenyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C34H34N2O5S MolecularWeight: 582.70916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H34N2O5S/c37-32(35-30(21-26-13-5-1-6-14-26)33(38)40-22-27-15-7-2-8-16-27)31(25-42-24-29-19-11-4-12-20-29)36-34(39)41-23-28-17-9-3-10-18-28/h1-20,30-31H,21-25H2,(H,35,37)(H,36,39)