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

Systemtic Name: 4-methyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]pentanoic acid Openeye Name: 4-methyl-2-[[2-(o-tolylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[2-(o-tolylthio)acetyl]amino]valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-10(2)8-12(15(18)19)16-14(17)9-20-13-7-5-4-6-11(13)3/h4-7,10,12H,8-9H2,1-3H3,(H,16,17)(H,18,19)