2-azanyl-3-[2-(4-cyclohexylphenyl)propan-2-ylsulfanyl]propanoic acid hydrochloride

Systemtic Name: 2-azanyl-3-[2-(4-cyclohexylphenyl)propan-2-ylsulfanyl]propanoic acid hydrochloride Openeye Name: 2-amino-3-[1-(4-cyclohexylphenyl)-1-methyl-ethyl]sulfanyl-propanoic acid hydrochloride CAS Name: 2-amino-3-[2-(4-cyclohexylphenyl)propan-2-ylthio]propanoic acid hydrochloride IUPAC Name: 2-amino-3-[2-(4-cyclohexylphenyl)propan-2-ylsulfanyl]propanoic acid hydrochloride Traditional Name: 2-amino-3-[[1-(4-cyclohexylphenyl)-1-methyl-ethyl]thio]propionic acid hydrochloride Formula: C18H28ClNO2S MolecularWeight: 357.93842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2CCCCC2)SCC(C(=O)O)N.Cl

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2CCCCC2)SCC(C(=O)O)N.Cl

InChI

InChI=1S/C18H27NO2S.ClH/c1-18(2,22-12-16(19)17(20)21)15-10-8-14(9-11-15)13-6-4-3-5-7-13;/h8-11,13,16H,3-7,12,19H2,1-2H3,(H,20,21);1H