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

Systemtic Name: (2S)-2-[3-(phenylmethylsulfanyl)propylamino]pentanoic acid Openeye Name: (2S)-2-(3-benzylsulfanylpropylamino)pentanoic acid CAS Name: (2S)-2-[3-(phenylmethylthio)propylamino]pentanoic acid IUPAC Name: (2S)-2-(3-benzylsulfanylpropylamino)pentanoic acid Traditional Name: (2S)-2-[3-(benzylthio)propylamino]valeric acid Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO2S/c1-2-7-14(15(17)18)16-10-6-11-19-12-13-8-4-3-5-9-13/h3-5,8-9,14,16H,2,6-7,10-12H2,1H3,(H,17,18)/t14-/m0/s1