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

Systemtic Name: ethyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate Openeye Name: ethyl 2-[2-(benzyloxycarbonylamino)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-methylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)propanoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-4-24-17(22)15(10-11-26-3)20-16(21)13(2)19-18(23)25-12-14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,23)(H,20,21)