2-[3-(2-hexadecanoyloxyhexadecanoylamino)propanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[3-(2-hexadecanoyloxyhexadecanoylamino)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[3-(2-hexadecanoyloxyhexadecanoylamino)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-3-[[1-oxo-2-(1-oxohexadecoxy)hexadecyl]amino]propyl]amino]butanoic acid IUPAC Name: 2-[3-(2-hexadecanoyloxyhexadecanoylamino)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[3-(2-hexadecanoyloxyhexadecanoylamino)propanoylamino]-3-hydroxy-butyric acid Formula: C39H74N2O7 MolecularWeight: 683.01406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)NCCC(=O)NC(C(C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCCC)C(=O)NCCC(=O)NC(C(C)O)C(=O)O

InChI

InChI=1S/C39H74N2O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(44)48-34(29-27-25-23-21-19-17-15-13-11-9-7-5-2)38(45)40-32-31-35(43)41-37(33(3)42)39(46)47/h33-34,37,42H,4-32H2,1-3H3,(H,40,45)(H,41,43)(H,46,47)