trisodium 2-[[2-(dodecanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-6-[[4-(dodecanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]hexanoate

Systemtic Name: trisodium 2-[[2-(dodecanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]-6-[[4-(dodecanoylamino)-5-oxidanidyl-5-oxidanylidene-pentanoyl]amino]hexanoate Openeye Name: trisodium 2-[[2-(dodecanoylamino)-5-oxido-5-oxo-pentanoyl]amino]-6-[[4-(dodecanoylamino)-5-oxido-5-oxo-pentanoyl]amino]hexanoate CAS Name: trisodium 2-[[5-oxido-1,5-dioxo-2-(1-oxododecylamino)pentyl]amino]-6-[[5-oxido-1,5-dioxo-4-(1-oxododecylamino)pentyl]amino]hexanoate IUPAC Name: trisodium 2-[[2-(dodecanoylamino)-5-oxido-5-oxopentanoyl]amino]-6-[[4-(dodecanoylamino)-5-oxido-5-oxopentanoyl]amino]hexanoate Traditional Name: trisodium 2-[[5-keto-2-(lauroylamino)-5-oxido-pentanoyl]amino]-6-[[5-keto-4-(lauroylamino)-5-oxido-pentanoyl]amino]hexanoate Formula: C40H69N4Na3O10 MolecularWeight: 834.96597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H72N4O10.3Na/c1-3-5-7-9-11-13-15-17-19-24-35(46)42-31(27-29-37(48)49)38(50)44-32(39(51)52)23-21-22-30-41-34(45)28-26-33(40(53)54)43-36(47)25-20-18-16-14-12-10-8-6-4-2;;;/h31-33H,3-30H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)(H,44,50)(H,48,49)(H,51,52)(H,53,54);;;/q;3*+1/p-3