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

Systemtic Name: bis(phenylmethyl) 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-oxidanyl-butanoyl]amino]pentanedioate Openeye Name: dibenzyl 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-butanoyl]amino]pentanedioate CAS Name: 2-[[3-hydroxy-1-oxo-2-[[1-oxo-3-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]propyl]amino]butyl]amino]pentanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxybutanoyl]amino]pentanedioate Traditional Name: 2-[[2-[3-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-butanoyl]amino]glutaric acid dibenzyl ester Formula: C60H97N3O10 MolecularWeight: 1020.42628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NCCC(=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)NCCC(=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/C60H97N3O10/c1-4-6-8-10-12-14-16-18-20-22-24-26-34-40-52(73-57(68)41-35-27-25-23-21-19-17-15-13-11-9-7-5-2)46-55(66)61-45-44-54(65)63-58(49(3)64)59(69)62-53(60(70)72-48-51-38-32-29-33-39-51)42-43-56(67)71-47-50-36-30-28-31-37-50/h28-33,36-39,49,52-53,58,64H,4-27,34-35,40-48H2,1-3H3,(H,61,66)(H,62,69)(H,63,65)