2-azanyl-4-methylsulfanyl-butanoic acid; 2,6-bis(azanyl)hexanoic acid; hydrochloride

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 2,6-bis(azanyl)hexanoic acid; hydrochloride Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 2,6-diaminohexanoic acid; hydrochloride CAS Name: 2-amino-4-(methylthio)butanoic acid; 2,6-diaminohexanoic acid; hydrochloride IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 2,6-diaminohexanoic acid; hydrochloride Traditional Name: 2-amino-4-(methylthio)butyric acid; 2,6-diaminohexanoic acid; hydrochloride Formula: C17H40ClN5O6S MolecularWeight: 478.0474

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C(CCN)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N.Cl

Isomeric SMILES

CSCCC(C(=O)O)N.C(CCN)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N.Cl

InChI

InChI=1S/2C6H14N2O2.C5H11NO2S.ClH/c2*7-4-2-1-3-5(8)6(9)10;1-9-3-2-4(6)5(7)8;/h2*5H,1-4,7-8H2,(H,9,10);4H,2-3,6H2,1H3,(H,7,8);1H