methyl (2S)-4-methyl-2-[2-(phenylmethylsulfanyl)ethylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-(phenylmethylsulfanyl)ethylamino]pentanoate Openeye Name: methyl (2S)-2-(2-benzylsulfanylethylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[2-(phenylmethylthio)ethylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(2-benzylsulfanylethylamino)-4-methylpentanoate Traditional Name: (2S)-2-[2-(benzylthio)ethylamino]-4-methyl-valeric acid methyl ester Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NCCSCC1=CC=CC=C1

InChI

InChI=1S/C16H25NO2S/c1-13(2)11-15(16(18)19-3)17-9-10-20-12-14-7-5-4-6-8-14/h4-8,13,15,17H,9-12H2,1-3H3/t15-/m0/s1