3-azanyl-4-(2-hexadecanoyloxyethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-(2-hexadecanoyloxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-(2-hexadecanoyloxyethylamino)-4-oxo-butanoic acid CAS Name: 3-amino-4-oxo-4-[2-(1-oxohexadecoxy)ethylamino]butanoic acid IUPAC Name: 3-amino-4-(2-hexadecanoyloxyethylamino)-4-oxobutanoic acid Traditional Name: 3-amino-4-(2-hexadecanoyloxyethylamino)-4-keto-butyric acid Formula: C22H42N2O5 MolecularWeight: 414.57928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCNC(=O)C(CC(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCNC(=O)C(CC(=O)O)N

InChI

InChI=1S/C22H42N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(27)29-17-16-24-22(28)19(23)18-20(25)26/h19H,2-18,23H2,1H3,(H,24,28)(H,25,26)