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

Systemtic Name: 3-azanyl-4-hexadecoxy-4-oxidanylidene-butanoate; 2,6-bis(azanyl)hexanoic acid Openeye Name: 3-amino-4-hexadecoxy-4-oxo-butanoate; 2,6-diaminohexanoic acid CAS Name: 3-amino-4-hexadecoxy-4-oxobutanoate; 2,6-diaminohexanoic acid IUPAC Name: 3-amino-4-hexadecoxy-4-oxobutanoate; 2,6-diaminohexanoic acid Traditional Name: 3-amino-4-cetyloxy-4-keto-butyrate; 2,6-diaminohexanoic acid Formula: C26H52N3O6- MolecularWeight: 502.70758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H39NO4.C6H14N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-20(24)18(21)17-19(22)23;7-4-2-1-3-5(8)6(9)10/h18H,2-17,21H2,1H3,(H,22,23);5H,1-4,7-8H2,(H,9,10)/p-1