2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-oxidanyl-butanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-oxidanyl-butanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-butanoyl]amino]pentanedioic acid CAS Name: 2-[[3-hydroxy-1-oxo-2-[[1-oxo-3-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]propyl]amino]butyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxybutanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-butanoyl]amino]glutaric acid Formula: C46H85N3O10 MolecularWeight: 840.1812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H85N3O10/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-38(59-43(55)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)36-41(52)47-35-34-40(51)49-44(37(3)50)45(56)48-39(46(57)58)32-33-42(53)54/h37-39,44,50H,4-36H2,1-3H3,(H,47,52)(H,48,56)(H,49,51)(H,53,54)(H,57,58)