3-methyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]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)CSCC1=CC=CC(=C1)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSCC1=CC=CC(=C1)C

InChI

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