2-azanyl-3-methyl-3-(phenylmethylsulfanyl)nonanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-methyl-3-(phenylmethylsulfanyl)nonanoic acid hydrochloride Openeye Name: 2-amino-3-benzylsulfanyl-3-methyl-nonanoic acid hydrochloride CAS Name: 2-amino-3-methyl-3-(phenylmethylthio)nonanoic acid hydrochloride IUPAC Name: 2-amino-3-benzylsulfanyl-3-methylnonanoic acid hydrochloride Traditional Name: 2-amino-3-(benzylthio)-3-methyl-pelargonic acid hydrochloride Formula: C17H28ClNO2S MolecularWeight: 345.92772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(C(=O)O)N)SCC1=CC=CC=C1.Cl

Isomeric SMILES

CCCCCCC(C)(C(C(=O)O)N)SCC1=CC=CC=C1.Cl

InChI

InChI=1S/C17H27NO2S.ClH/c1-3-4-5-9-12-17(2,15(18)16(19)20)21-13-14-10-7-6-8-11-14;/h6-8,10-11,15H,3-5,9,12-13,18H2,1-2H3,(H,19,20);1H