(phenylmethyl) 2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) 2-[2-(phenylmethoxycarbonylamino)propanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-3-(benzylthio)propionic acid benzyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O5S/c1-21(29-28(33)35-18-23-13-7-3-8-14-23)26(31)30-25(20-36-19-24-15-9-4-10-16-24)27(32)34-17-22-11-5-2-6-12-22/h2-16,21,25H,17-20H2,1H3,(H,29,33)(H,30,31)