3-azanyl-4-dodecoxy-4-oxidanylidene-butanoate; 2,6-bis(azanyl)hexanoic acid

Systemtic Name: 3-azanyl-4-dodecoxy-4-oxidanylidene-butanoate; 2,6-bis(azanyl)hexanoic acid Openeye Name: 3-amino-4-dodecoxy-4-oxo-butanoate; 2,6-diaminohexanoic acid CAS Name: 3-amino-4-dodecoxy-4-oxobutanoate; 2,6-diaminohexanoic acid IUPAC Name: 3-amino-4-dodecoxy-4-oxobutanoate; 2,6-diaminohexanoic acid Traditional Name: 3-amino-4-keto-4-lauryloxy-butyrate; 2,6-diaminohexanoic acid Formula: C22H44N3O6- MolecularWeight: 446.60126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(CC(=O)[O-])N.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(CC(=O)[O-])N.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C16H31NO4.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-21-16(20)14(17)13-15(18)19;7-4-2-1-3-5(8)6(9)10/h14H,2-13,17H2,1H3,(H,18,19);5H,1-4,7-8H2,(H,9,10)/p-1