3-azanyl-5-methylsulfanyl-2-oxidanyl-N-(2-pyridin-2-ylethyl)pentanamide dihydrochloride

Systemtic Name: 3-azanyl-5-methylsulfanyl-2-oxidanyl-N-(2-pyridin-2-ylethyl)pentanamide dihydrochloride Openeye Name: 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(2-pyridyl)ethyl]pentanamide dihydrochloride CAS Name: 3-amino-2-hydroxy-5-(methylthio)-N-[2-(2-pyridinyl)ethyl]pentanamide dihydrochloride IUPAC Name: 3-amino-2-hydroxy-5-methylsulfanyl-N-(2-pyridin-2-ylethyl)pentanamide dihydrochloride Traditional Name: 3-amino-2-hydroxy-5-(methylthio)-N-[2-(2-pyridyl)ethyl]valeramide dihydrochloride Formula: C13H23Cl2N3O2S MolecularWeight: 356.31162

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C(=O)NCCC1=CC=CC=N1)O)N.Cl.Cl

Isomeric SMILES

CSCCC(C(C(=O)NCCC1=CC=CC=N1)O)N.Cl.Cl

InChI

InChI=1S/C13H21N3O2S.2ClH/c1-19-9-6-11(14)12(17)13(18)16-8-5-10-4-2-3-7-15-10;;/h2-4,7,11-12,17H,5-6,8-9,14H2,1H3,(H,16,18);2*1H