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

Systemtic Name: methyl 3-phenyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]propanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

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