2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(acetylthio)-4-keto-4-phenyl-butanoyl]amino]-3-methyl-butyric acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5S/c1-10(2)15(17(22)23)18-16(21)14(24-11(3)19)9-13(20)12-7-5-4-6-8-12/h4-8,10,14-15H,9H2,1-3H3,(H,18,21)(H,22,23)