9-octylicosan-9-yl 5-azanyl-2-(dodecanoylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 9-octylicosan-9-yl 5-azanyl-2-(dodecanoylamino)-5-oxidanylidene-pentanoate Openeye Name: 1,1-dioctyldodecyl 5-amino-2-(dodecanoylamino)-5-oxo-pentanoate CAS Name: 5-amino-5-oxo-2-(1-oxododecylamino)pentanoic acid 9-octyleicosan-9-yl ester IUPAC Name: 9-octylicosan-9-yl 5-amino-2-(dodecanoylamino)-5-oxopentanoate Traditional Name: 5-amino-5-keto-2-(lauroylamino)valeric acid 1,1-dioctyldodecyl ester Formula: C45H88N2O4 MolecularWeight: 721.19122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC(=O)N)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCC(=O)N)C(=O)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

InChI

InChI=1S/C45H88N2O4/c1-5-9-13-17-21-23-25-27-31-35-43(49)47-41(36-37-42(46)48)44(50)51-45(38-32-28-19-15-11-7-3,39-33-29-20-16-12-8-4)40-34-30-26-24-22-18-14-10-6-2/h41H,5-40H2,1-4H3,(H2,46,48)(H,47,49)