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

Systemtic Name: 4-methyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]pentanoic acid Openeye Name: 2-[(2-benzylsulfanylacetyl)amino]-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]pentanoic acid IUPAC Name: 2-[(2-benzylsulfanylacetyl)amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-4-methyl-valeric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-11(2)8-13(15(18)19)16-14(17)10-20-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,16,17)(H,18,19)