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

Systemtic Name: dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate Openeye Name: dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]butyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methylbutanoyl]amino]pentanedioate Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-methyl-butanoyl]amino]glutaric acid dimethyl ester Formula: C46H86N2O8 MolecularWeight: 795.18364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H86N2O8/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(56-43(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)37-41(49)48-44(38(3)4)45(52)47-40(46(53)55-6)35-36-42(50)54-5/h38-40,44H,7-37H2,1-6H3,(H,47,52)(H,48,49)