2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioic acid

Systemtic Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioic acid Openeye Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioic acid CAS Name: 2-[[1-oxo-5-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]pentyl]amino]pentanedioic acid IUPAC Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioic acid Traditional Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]glutaric acid Formula: C44H82N2O8 MolecularWeight: 767.13048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82N2O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-38(54-43(51)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-41(48)45-36-30-29-32-40(47)46-39(44(52)53)34-35-42(49)50/h38-39H,3-37H2,1-2H3,(H,45,48)(H,46,47)(H,49,50)(H,52,53)