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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-(dodecylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2,6-diaminohexanoic acid; 2-(dodecylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2,6-diaminohexanoic acid; 2-(dodecylamino)-4-(methylthio)butanoic acid IUPAC Name: 2,6-diaminohexanoic acid; 2-(dodecylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2,6-diaminohexanoic acid; 2-(laurylamino)-4-(methylthio)butyric acid Formula: C23H49N3O4S MolecularWeight: 463.71786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(CCSC)C(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCNC(CCSC)C(=O)O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C17H35NO2S.C6H14N2O2/c1-3-4-5-6-7-8-9-10-11-12-14-18-16(17(19)20)13-15-21-2;7-4-2-1-3-5(8)6(9)10/h16,18H,3-15H2,1-2H3,(H,19,20);5H,1-4,7-8H2,(H,9,10)