4-methyl-2-[(2-methyl-3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]pentanoic acid

Systemtic Name: 4-methyl-2-[(2-methyl-3-oxidanylidene-3-phenyl-2-sulfanyl-propanoyl)amino]pentanoic acid Openeye Name: 4-methyl-2-[(2-methyl-3-oxo-3-phenyl-2-sulfanyl-propanoyl)amino]pentanoic acid CAS Name: 2-[(2-mercapto-2-methyl-1,3-dioxo-3-phenylpropyl)amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[(2-methyl-3-oxo-3-phenyl-2-sulfanylpropanoyl)amino]pentanoic acid Traditional Name: 2-[(3-keto-2-mercapto-2-methyl-3-phenyl-propanoyl)amino]-4-methyl-valeric acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-10(2)9-12(14(19)20)17-15(21)16(3,22)13(18)11-7-5-4-6-8-11/h4-8,10,12,22H,9H2,1-3H3,(H,17,21)(H,19,20)