5-(methylamino)-2-(2-methylpropyl)-5-oxidanylidene-3-(phenylcarbonyl)-3-sulfanyl-pentanoic acid

Systemtic Name: 5-(methylamino)-2-(2-methylpropyl)-5-oxidanylidene-3-(phenylcarbonyl)-3-sulfanyl-pentanoic acid Openeye Name: 3-benzoyl-2-isobutyl-5-(methylamino)-5-oxo-3-sulfanyl-pentanoic acid CAS Name: 3-benzoyl-3-mercapto-5-(methylamino)-2-(2-methylpropyl)-5-oxopentanoic acid IUPAC Name: 3-benzoyl-5-(methylamino)-2-(2-methylpropyl)-5-oxo-3-sulfanylpentanoic acid Traditional Name: 3-benzoyl-2-isobutyl-5-keto-3-mercapto-5-(methylamino)valeric acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-11(2)9-13(16(21)22)17(23,10-14(19)18-3)15(20)12-7-5-4-6-8-12/h4-8,11,13,23H,9-10H2,1-3H3,(H,18,19)(H,21,22)