3-(methylamino)-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 3-(methylamino)-4-oxidanylidene-5-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 5-benzylsulfanyl-3-(methylamino)-4-oxo-pentanoic acid CAS Name: 3-(methylamino)-4-oxo-5-(phenylmethylthio)pentanoic acid IUPAC Name: 5-benzylsulfanyl-3-(methylamino)-4-oxopentanoic acid Traditional Name: 5-(benzylthio)-4-keto-3-(methylamino)valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(=O)O)C(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CNC(CC(=O)O)C(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-14-11(7-13(16)17)12(15)9-18-8-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,16,17)