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

Systemtic Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]propyl]amino]butanoic acid IUPAC Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[2-(3-hexadecanoyloxyoctadecanoylamino)propanoylamino]-3-hydroxy-butyric acid Formula: C41H78N2O7 MolecularWeight: 711.06722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(C)C(=O)NC(C(C)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C41H78N2O7/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(33-37(45)42-34(3)40(47)43-39(35(4)44)41(48)49)50-38(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h34-36,39,44H,5-33H2,1-4H3,(H,42,45)(H,43,47)(H,48,49)