2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-5-[[1-oxo-3-(1-oxohexadecoxy)octadecyl]amino]pentyl]amino]butanoic acid IUPAC Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]-3-hydroxybutanoic acid Traditional Name: 2-[5-(3-hexadecanoyloxyoctadecanoylamino)pentanoylamino]-3-hydroxy-butyric acid Formula: C43H82N2O7 MolecularWeight: 739.12038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H82N2O7/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-32-38(36-40(48)44-35-31-30-33-39(47)45-42(37(3)46)43(50)51)52-41(49)34-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h37-38,42,46H,4-36H2,1-3H3,(H,44,48)(H,45,47)(H,50,51)