5-(dioctadecylamino)-4-(dodecanoylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(dioctadecylamino)-4-(dodecanoylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(dioctadecylamino)-4-(dodecanoylamino)-5-oxo-pentanoic acid CAS Name: 5-(dioctadecylamino)-5-oxo-4-(1-oxododecylamino)pentanoic acid IUPAC Name: 5-(dioctadecylamino)-4-(dodecanoylamino)-5-oxopentanoic acid Traditional Name: 5-(distearylamino)-5-keto-4-(lauroylamino)valeric acid Formula: C53H104N2O4 MolecularWeight: 833.40386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CCC(=O)O)NC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C(CCC(=O)O)NC(=O)CCCCCCCCCCC

InChI

InChI=1S/C53H104N2O4/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-37-40-43-48-55(49-44-41-38-35-32-30-28-26-24-22-20-17-14-11-8-5-2)53(59)50(46-47-52(57)58)54-51(56)45-42-39-36-33-18-15-12-9-6-3/h50H,4-49H2,1-3H3,(H,54,56)(H,57,58)