5-[(2-methyl-3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]hexanoic acid

Systemtic Name: 5-[(2-methyl-3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]hexanoic acid Openeye Name: 5-[(2-methyl-3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]hexanoic acid CAS Name: 5-[(2-mercapto-2-methyl-1,3-dioxo-3-phenylpropyl)amino]hexanoic acid IUPAC Name: 5-[(2-methyl-3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]hexanoic acid Traditional Name: 5-[(3-keto-2-mercapto-2-methyl-3-phenyl-propanoyl)amino]hexanoic acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=O)O)NC(=O)C(C)(C(=O)C1=CC=CC=C1)S

Isomeric SMILES

CC(CCCC(=O)O)NC(=O)C(C)(C(=O)C1=CC=CC=C1)S

InChI

InChI=1S/C16H21NO4S/c1-11(7-6-10-13(18)19)17-15(21)16(2,22)14(20)12-8-4-3-5-9-12/h3-5,8-9,11,22H,6-7,10H2,1-2H3,(H,17,21)(H,18,19)