dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-oxidanyl-butanoyl]amino]pentanedioate

Systemtic Name: dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-oxidanyl-butanoyl]amino]pentanedioate Openeye Name: dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]pentanedioate CAS Name: 2-[[3-hydroxy-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxybutanoyl]amino]pentanedioate Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]glutaric acid dimethyl ester Formula: C45H84N2O9 MolecularWeight: 797.15646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H84N2O9/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(56-42(51)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)36-40(49)47-43(37(3)48)44(52)46-39(45(53)55-5)34-35-41(50)54-4/h37-39,43,48H,6-36H2,1-5H3,(H,46,52)(H,47,49)