bis(phenylmethyl) 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioate

Systemtic Name: bis(phenylmethyl) 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioate Openeye Name: dibenzyl 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioate CAS Name: 2-[[1-oxo-5-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]pentyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]pentanedioate Traditional Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]glutaric acid dibenzyl ester Formula: C58H94N2O8 MolecularWeight: 947.37556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NCCCCC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NCCCCC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C58H94N2O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-41-52(68-57(64)43-34-26-24-22-20-18-16-14-12-10-8-6-4-2)47-55(62)59-46-36-35-42-54(61)60-53(58(65)67-49-51-39-31-28-32-40-51)44-45-56(63)66-48-50-37-29-27-30-38-50/h27-32,37-40,52-53H,3-26,33-36,41-49H2,1-2H3,(H,59,62)(H,60,61)