3-methyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(o-tolylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(o-tolylthio)acetyl]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)CSC1=CC=CC=C1C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=CC=C1C

InChI

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