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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3S/c1-11(2)10-14(16(19)20)17-15(18)8-9-21-13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,17,18)(H,19,20)