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

Systemtic Name: 2-azanyl-3-methyl-3-(phenylmethylsulfanyl)octanoic acid hydrochloride Openeye Name: 2-amino-3-benzylsulfanyl-3-methyl-octanoic acid hydrochloride CAS Name: 2-amino-3-methyl-3-(phenylmethylthio)octanoic acid hydrochloride IUPAC Name: 2-amino-3-benzylsulfanyl-3-methyloctanoic acid hydrochloride Traditional Name: 2-amino-3-(benzylthio)-3-methyl-caprylic acid hydrochloride Formula: C16H26ClNO2S MolecularWeight: 331.90114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S.ClH/c1-3-4-8-11-16(2,14(17)15(18)19)20-12-13-9-6-5-7-10-13;/h5-7,9-10,14H,3-4,8,11-12,17H2,1-2H3,(H,18,19);1H