3-methyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-methyl-5-(methylthio)benzoyl]amino]valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-5-9(2)13(15(18)19)16-14(17)12-8-11(20-4)7-6-10(12)3/h6-9,13H,5H2,1-4H3,(H,16,17)(H,18,19)