(4S)-4-azanyl-3-oxidanylidene-2-(phenylcarbonyl)-2-sulfanyl-pentanoate

Systemtic Name: (4S)-4-azanyl-3-oxidanylidene-2-(phenylcarbonyl)-2-sulfanyl-pentanoate Openeye Name: (4S)-4-amino-2-benzoyl-3-oxo-2-sulfanyl-pentanoate CAS Name: (4S)-4-amino-2-benzoyl-2-mercapto-3-oxopentanoate IUPAC Name: (4S)-4-amino-2-benzoyl-3-oxo-2-sulfanylpentanoate Traditional Name: (4S)-4-amino-2-benzoyl-3-keto-2-mercapto-valerate Formula: C12H12NO4S- MolecularWeight: 266.29298

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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

C[C@@H](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)/p-1/t7-,12?/m0/s1