2-[(2-benzamido-3-methyl-butanoyl)amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(2-benzamido-3-methyl-butanoyl)amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2-benzamido-3-methyl-butanoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2-benzamido-3-methyl-1-oxobutyl)amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2-benzamido-3-methylbutanoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2-benzamido-3-methyl-butanoyl)amino]-4-(methylthio)butyric acid Formula: C17H24N2O4S MolecularWeight: 352.44846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-11(2)14(19-15(20)12-7-5-4-6-8-12)16(21)18-13(17(22)23)9-10-24-3/h4-8,11,13-14H,9-10H2,1-3H3,(H,18,21)(H,19,20)(H,22,23)