methyl 5-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl 5-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl 5-acetylsulfanyl-2-(benzyloxycarbonylamino)pentanoate CAS Name: 5-(acetylthio)-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl 5-acetylsulfanyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-(acetylthio)-2-(benzyloxycarbonylamino)valeric acid methyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-12(18)23-10-6-9-14(15(19)21-2)17-16(20)22-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-11H2,1-2H3,(H,17,20)