methyl (2S)-4-methyl-2-[3-(phenylmethylsulfanyl)propylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[3-(phenylmethylsulfanyl)propylamino]pentanoate Openeye Name: methyl (2S)-2-(3-benzylsulfanylpropylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[3-(phenylmethylthio)propylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-benzylsulfanylpropylamino)-4-methylpentanoate Traditional Name: (2S)-2-[3-(benzylthio)propylamino]-4-methyl-valeric acid methyl ester Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NCCCSCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NCCCSCC1=CC=CC=C1

InChI

InChI=1S/C17H27NO2S/c1-14(2)12-16(17(19)20-3)18-10-7-11-21-13-15-8-5-4-6-9-15/h4-6,8-9,14,16,18H,7,10-13H2,1-3H3/t16-/m0/s1