trisodium; 2-(dodecanoylamino)pentanedioate; 2-(octadecanoylamino)pentanedioate

Systemtic Name: trisodium; 2-(dodecanoylamino)pentanedioate; 2-(octadecanoylamino)pentanedioate Openeye Name: trisodium; 2-(dodecanoylamino)pentanedioate; 2-(octadecanoylamino)pentanedioate CAS Name: trisodium; 2-(1-oxododecylamino)pentanedioate; 2-(1-oxooctadecylamino)pentanedioate IUPAC Name: trisodium; 2-(dodecanoylamino)pentanedioate; 2-(octadecanoylamino)pentanedioate Traditional Name: trisodium; 2-(lauroylamino)glutarate; 2-stearamidoglutarate Formula: C40H70N2Na3O10- MolecularWeight: 807.96051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].CCCCCCCCCCCC(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H43NO5.C17H31NO5.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27;1-2-3-4-5-6-7-8-9-10-11-15(19)18-14(17(22)23)12-13-16(20)21;;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27)(H,28,29);14H,2-13H2,1H3,(H,18,19)(H,20,21)(H,22,23);;;/q;;3*+1/p-4