2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]hexanoic acid Openeye Name: 2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]hexanoic acid CAS Name: 2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]hexanoic acid Traditional Name: 2-[[2-[(3-methylbenzyl)thio]acetyl]amino]hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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