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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S/c1-3-13(2)15(16(18)19)17-10-7-11-20-12-14-8-5-4-6-9-14/h4-6,8-9,13,15,17H,3,7,10-12H2,1-2H3,(H,18,19)/t13-,15-/m0/s1