3-azanyl-5-(4-methylphenyl)sulfanyl-pentanoic acid

Systemtic Name: 3-azanyl-5-(4-methylphenyl)sulfanyl-pentanoic acid Openeye Name: 3-amino-5-(p-tolylsulfanyl)pentanoic acid CAS Name: 3-amino-5-[(4-methylphenyl)thio]pentanoic acid IUPAC Name: 3-amino-5-(4-methylphenyl)sulfanylpentanoic acid Traditional Name: 3-amino-5-(p-tolylthio)valeric acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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