2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[5-hydroxy-1,5-dioxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]pentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C44H80N2O10 MolecularWeight: 797.1134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C44H80N2O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(56-42(52)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-39(47)45-37(31-33-40(48)49)43(53)46-38(44(54)55)32-34-41(50)51/h36-38H,3-35H2,1-2H3,(H,45,47)(H,46,53)(H,48,49)(H,50,51)(H,54,55)