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

Systemtic Name: 4-methyl-2-[2-(phenylmethylsulfanyl)ethylamino]pentanoic acid Openeye Name: 2-(2-benzylsulfanylethylamino)-4-methyl-pentanoic acid CAS Name: 4-methyl-2-[2-(phenylmethylthio)ethylamino]pentanoic acid IUPAC Name: 2-(2-benzylsulfanylethylamino)-4-methylpentanoic acid Traditional Name: 2-[2-(benzylthio)ethylamino]-4-methyl-valeric acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NCCSCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)O)NCCSCC1=CC=CC=C1

InChI

InChI=1S/C15H23NO2S/c1-12(2)10-14(15(17)18)16-8-9-19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,8-11H2,1-2H3,(H,17,18)