methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate Openeye Name: methyl 2-[2-(benzyloxycarbonylamino)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O5S/c1-12(15(20)19-14(9-10-25-3)16(21)23-2)18-17(22)24-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,22)(H,19,20)