3-methyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[3-(p-tolylsulfanyl)propanoylamino]pentanoic acid CAS Name: 3-methyl-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]pentanoic acid Traditional Name: 3-methyl-2-[3-(p-tolylthio)propanoylamino]valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)C

InChI

InChI=1S/C16H23NO3S/c1-4-12(3)15(16(19)20)17-14(18)9-10-21-13-7-5-11(2)6-8-13/h5-8,12,15H,4,9-10H2,1-3H3,(H,17,18)(H,19,20)