2-azanyl-4-methyl-3-oxidanylidene-2-(phenylmethylsulfanyl)pentanoic acid

Systemtic Name: 2-azanyl-4-methyl-3-oxidanylidene-2-(phenylmethylsulfanyl)pentanoic acid Openeye Name: 2-amino-2-benzylsulfanyl-4-methyl-3-oxo-pentanoic acid CAS Name: 2-amino-4-methyl-3-oxo-2-(phenylmethylthio)pentanoic acid IUPAC Name: 2-amino-2-benzylsulfanyl-4-methyl-3-oxopentanoic acid Traditional Name: 2-amino-2-(benzylthio)-3-keto-4-methyl-valeric acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(C(=O)O)(N)SCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(=O)C(C(=O)O)(N)SCC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-9(2)11(15)13(14,12(16)17)18-8-10-6-4-3-5-7-10/h3-7,9H,8,14H2,1-2H3,(H,16,17)