(2S)-2-azanyl-5-(3-methylphenyl)sulfanyl-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-(3-methylphenyl)sulfanyl-pentanoic acid Openeye Name: (2S)-2-amino-5-(m-tolylsulfanyl)pentanoic acid CAS Name: (2S)-2-amino-5-[(3-methylphenyl)thio]pentanoic acid IUPAC Name: (2S)-2-amino-5-(3-methylphenyl)sulfanylpentanoic acid Traditional Name: (2S)-2-amino-5-(m-tolylthio)valeric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCCCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)SCCC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H17NO2S/c1-9-4-2-5-10(8-9)16-7-3-6-11(13)12(14)15/h2,4-5,8,11H,3,6-7,13H2,1H3,(H,14,15)/t11-/m0/s1