2-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]pentanoic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-2-methyl-pentanoic acid CAS Name: 2-methyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]pentanoic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-2-methylpentanoic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-2-methyl-valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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