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

Systemtic Name: 4-methyl-2-[(2-methyl-5-methylsulfanyl-phenyl)carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(2-methyl-5-methylsulfanyl-benzoyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[[2-methyl-5-(methylthio)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]pentanoic acid Traditional Name: 4-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:

CC1=C(C=C(C=C1)SC)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-9(2)7-13(15(18)19)16-14(17)12-8-11(20-4)6-5-10(12)3/h5-6,8-9,13H,7H2,1-4H3,(H,16,17)(H,18,19)