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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-(dodecanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: 2,6-diaminohexanoic acid; 2-(dodecanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 2,6-diaminohexanoic acid; 4-(methylthio)-2-(1-oxododecylamino)butanoic acid IUPAC Name: 2,6-diaminohexanoic acid; 2-(dodecanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: 2,6-diaminohexanoic acid; 2-(lauroylamino)-4-(methylthio)butyric acid Formula: C23H47N3O5S MolecularWeight: 477.70138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCSC)C(=O)O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCSC)C(=O)O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C17H33NO3S.C6H14N2O2/c1-3-4-5-6-7-8-9-10-11-12-16(19)18-15(17(20)21)13-14-22-2;7-4-2-1-3-5(8)6(9)10/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21);5H,1-4,7-8H2,(H,9,10)