3-acetamido-2-(1-fluoranyl-3-tetradecanoyloxy-2-tetradec-1-en-2-ylperoxy-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 3-acetamido-2-(1-fluoranyl-3-tetradecanoyloxy-2-tetradec-1-en-2-ylperoxy-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-[1-fluoro-2-(1-methylenetridecylperoxy)-3-tetradecanoyloxy-propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-fluoro-3-(1-oxotetradecoxy)-2-tetradec-1-en-2-yldioxypropyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-fluoro-3-tetradecanoyloxy-2-tetradec-1-en-2-ylperoxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-[1-fluoro-2-(1-laurylvinylperoxy)-3-tetradecanoyloxy-propyl]-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C40H69FN2O8 MolecularWeight: 724.982863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)C=N)NC(=O)C)F)OOC(=C)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)C=N)NC(=O)C)F)OOC(=C)CCCCCCCCCCCC

InChI

InChI=1S/C40H69FN2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-36(45)48-30-35(51-50-31(3)26-24-22-20-18-16-14-12-10-8-6-2)37(41)39-38(43-32(4)44)33(29-42)28-34(49-39)40(46)47/h28-29,33,35,37-39,42H,3,5-27,30H2,1-2,4H3,(H,43,44)(H,46,47)