2-[[2-[2,3-bis(hexadecanoylamino)propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[2,3-bis(hexadecanoylamino)propanoylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[2,3-bis(hexadecanoylamino)propanoylamino]-5-hydroxy-5-oxo-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[5-hydroxy-1,5-dioxo-2-[[1-oxo-2,3-bis(1-oxohexadecylamino)propyl]amino]pentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[2,3-bis(hexadecanoylamino)propanoylamino]-5-hydroxy-5-oxopentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-(2,3-dipalmitamidopropanoylamino)-5-hydroxy-5-keto-pentanoyl]amino]glutaric acid Formula: C45H82N4O10 MolecularWeight: 839.15338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NCC(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H82N4O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(50)46-35-38(47-40(51)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)44(57)48-36(31-33-41(52)53)43(56)49-37(45(58)59)32-34-42(54)55/h36-38H,3-35H2,1-2H3,(H,46,50)(H,47,51)(H,48,57)(H,49,56)(H,52,53)(H,54,55)(H,58,59)