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

Systemtic Name: methyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoate Openeye Name: methyl 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H22N2O5S/c1-22-15(20)13(8-9-24-2)18-14(19)10-17-16(21)23-11-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,17,21)(H,18,19)