2-[[6-azanyl-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[6-azanyl-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]pentanedioic acid Openeye Name: 2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]pentanedioic acid CAS Name: 2-[[6-amino-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]hexyl]amino]pentanedioic acid IUPAC Name: 2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]pentanedioic acid Traditional Name: 2-[[6-amino-2-(3-hexadecanoyloxyoctadecanoylamino)hexanoyl]amino]glutaric acid Formula: C45H85N3O8 MolecularWeight: 796.1717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H85N3O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-38(56-43(52)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-41(49)47-39(32-29-30-36-46)44(53)48-40(45(54)55)34-35-42(50)51/h38-40H,3-37,46H2,1-2H3,(H,47,49)(H,48,53)(H,50,51)(H,54,55)