4-azanyl-3-oxidanylidene-2-(phenylcarbonyl)-2-sulfanyl-pentanoic acid

Systemtic Name: 4-azanyl-3-oxidanylidene-2-(phenylcarbonyl)-2-sulfanyl-pentanoic acid Openeye Name: 4-amino-2-benzoyl-3-oxo-2-sulfanyl-pentanoic acid CAS Name: 4-amino-2-benzoyl-2-mercapto-3-oxopentanoic acid IUPAC Name: 4-amino-2-benzoyl-3-oxo-2-sulfanylpentanoic acid Traditional Name: 4-amino-2-benzoyl-3-keto-2-mercapto-valeric acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-7(13)9(14)12(18,11(16)17)10(15)8-5-3-2-4-6-8/h2-7,18H,13H2,1H3,(H,16,17)