bis(2-octyldodecyl) (2S)-2-(dodecanoylamino)pentanedioate

Systemtic Name: bis(2-octyldodecyl) (2S)-2-(dodecanoylamino)pentanedioate Openeye Name: bis(2-octyldodecyl) (2S)-2-(dodecanoylamino)pentanedioate CAS Name: (2S)-2-(1-oxododecylamino)pentanedioic acid bis(2-octyldodecyl) ester IUPAC Name: bis(2-octyldodecyl) (2S)-2-(dodecanoylamino)pentanedioate Traditional Name: (2S)-2-(lauroylamino)glutaric acid bis(2-octyldodecyl) ester Formula: C57H111NO5 MolecularWeight: 890.49494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C57H111NO5/c1-6-11-16-21-26-29-32-37-42-47-55(59)58-54(57(61)63-51-53(45-39-34-25-20-15-10-5)46-41-36-31-28-23-18-13-8-3)48-49-56(60)62-50-52(43-38-33-24-19-14-9-4)44-40-35-30-27-22-17-12-7-2/h52-54H,6-51H2,1-5H3,(H,58,59)/t52?,53?,54-/m0/s1