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

Systemtic Name: bis(phenylmethyl) 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-oxidanyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 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 bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxybutanoyl]amino]pentanedioate Traditional Name: 2-[[2-(3-hexadecanoyloxyoctadecanoylamino)-3-hydroxy-butanoyl]amino]glutaric acid dibenzyl ester Formula: C57H92N2O9 MolecularWeight: 949.34838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C57H92N2O9/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-50(68-54(63)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)44-52(61)59-55(47(3)60)56(64)58-51(57(65)67-46-49-38-32-29-33-39-49)42-43-53(62)66-45-48-36-30-28-31-37-48/h28-33,36-39,47,50-51,55,60H,4-27,34-35,40-46H2,1-3H3,(H,58,64)(H,59,61)