2-[[2-azanyl-5-(dioctadecylamino)-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-azanyl-5-(dioctadecylamino)-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-amino-5-(dioctadecylamino)-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-amino-5-(dioctadecylamino)-1,5-dioxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-amino-5-(dioctadecylamino)-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-amino-5-(distearylamino)-5-keto-pentanoyl]amino]glutaric acid Formula: C46H89N3O6 MolecularWeight: 780.21536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H89N3O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-49(40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)43(50)37-35-41(47)45(53)48-42(46(54)55)36-38-44(51)52/h41-42H,3-40,47H2,1-2H3,(H,48,53)(H,51,52)(H,54,55)