3-methyl-2-[(2-methylsulfanylphenyl)carbonylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[(2-methylsulfanylphenyl)carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[[2-(methylthio)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(methylthio)benzoyl]amino]valeric acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C14H19NO3S/c1-4-9(2)12(14(17)18)15-13(16)10-7-5-6-8-11(10)19-3/h5-9,12H,4H2,1-3H3,(H,15,16)(H,17,18)