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

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]pentanoic acid Openeye Name: 2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]pentanoic acid IUPAC Name: 2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]pentanoic acid Traditional Name: 2-[[2-[(3-methylbenzyl)thio]acetyl]amino]valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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