4-azanyl-2-(octadecanoylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(octadecanoylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(octadecanoylamino)-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-2-(1-oxooctadecylamino)butanoic acid IUPAC Name: 4-amino-2-(octadecanoylamino)-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-stearamido-butyric acid Formula: C22H42N2O4 MolecularWeight: 398.57988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C22H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-19(22(27)28)18-20(23)25/h19H,2-18H2,1H3,(H2,23,25)(H,24,26)(H,27,28)