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

Systemtic Name: 3-(aminomethyl)-5-(4-methylphenyl)sulfanyl-pentanoic acid Openeye Name: 3-(aminomethyl)-5-(p-tolylsulfanyl)pentanoic acid CAS Name: 3-(aminomethyl)-5-[(4-methylphenyl)thio]pentanoic acid IUPAC Name: 3-(aminomethyl)-5-(4-methylphenyl)sulfanylpentanoic acid Traditional Name: 3-(aminomethyl)-5-(p-tolylthio)valeric acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO2S/c1-10-2-4-12(5-3-10)17-7-6-11(9-14)8-13(15)16/h2-5,11H,6-9,14H2,1H3,(H,15,16)