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

Systemtic Name: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-2-methyl-4-phenyl-butanoyl]amino]-3-methyl-butyric acid Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5S/c1-10(2)14(18(23)24)19-17(22)11(3)16(25-12(4)20)15(21)13-8-6-5-7-9-13/h5-11,14,16H,1-4H3,(H,19,22)(H,23,24)