2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-2-methyl-pentanoic acid

Systemtic Name: 2-[[2-(cyanomethylsulfanyl)phenyl]carbonylamino]-2-methyl-pentanoic acid Openeye Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-2-methyl-pentanoic acid CAS Name: 2-[[[2-(cyanomethylthio)phenyl]-oxomethyl]amino]-2-methylpentanoic acid IUPAC Name: 2-[[2-(cyanomethylsulfanyl)benzoyl]amino]-2-methylpentanoic acid Traditional Name: 2-[[2-(cyanomethylthio)benzoyl]amino]-2-methyl-valeric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)C1=CC=CC=C1SCC#N

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)C1=CC=CC=C1SCC#N

InChI

InChI=1S/C15H18N2O3S/c1-3-8-15(2,14(19)20)17-13(18)11-6-4-5-7-12(11)21-10-9-16/h4-7H,3,8,10H2,1-2H3,(H,17,18)(H,19,20)