3-methyl-2-[2-(phenylmethylsulfanyl)ethylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(phenylmethylsulfanyl)ethylamino]butanoic acid Openeye Name: 2-(2-benzylsulfanylethylamino)-3-methyl-butanoic acid CAS Name: 3-methyl-2-[2-(phenylmethylthio)ethylamino]butanoic acid IUPAC Name: 2-(2-benzylsulfanylethylamino)-3-methylbutanoic acid Traditional Name: 2-[2-(benzylthio)ethylamino]-3-methyl-butyric acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2S/c1-11(2)13(14(16)17)15-8-9-18-10-12-6-4-3-5-7-12/h3-7,11,13,15H,8-10H2,1-2H3,(H,16,17)