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

Systemtic Name: (2S)-4-methyl-2-[3-(phenylmethylsulfanyl)propylamino]pentanoic acid Openeye Name: (2S)-2-(3-benzylsulfanylpropylamino)-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[3-(phenylmethylthio)propylamino]pentanoic acid IUPAC Name: (2S)-2-(3-benzylsulfanylpropylamino)-4-methylpentanoic acid Traditional Name: (2S)-2-[3-(benzylthio)propylamino]-4-methyl-valeric acid Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S/c1-13(2)11-15(16(18)19)17-9-6-10-20-12-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,18,19)/t15-/m0/s1