bis(phenylmethyl) 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]pentanedioate

Systemtic Name: bis(phenylmethyl) 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-1-oxo-2-(1-oxodocosylamino)butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(docosanoylamino)-3-methylbutanoyl]amino]pentanedioate Traditional Name: 2-[[2-(docosanoylamino)-3-methyl-butanoyl]amino]glutaric acid dibenzyl ester Formula: C46H72N2O6 MolecularWeight: 749.07368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C46H72N2O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28-33-42(49)48-44(38(2)3)45(51)47-41(46(52)54-37-40-31-26-23-27-32-40)34-35-43(50)53-36-39-29-24-22-25-30-39/h22-27,29-32,38,41,44H,4-21,28,33-37H2,1-3H3,(H,47,51)(H,48,49)