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

Systemtic Name: 3-acetamido-2-(1-fluoranyl-3-hexadecanoyloxy-2-hexadec-1-en-2-ylperoxy-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-[1-fluoro-3-hexadecanoyloxy-2-(1-methylenepentadecylperoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-fluoro-2-hexadec-1-en-2-yldioxy-3-(1-oxohexadecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-fluoro-3-hexadecanoyloxy-2-hexadec-1-en-2-ylperoxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-[1-fluoro-3-hexadecanoyloxy-2-(1-myristylvinylperoxy)propyl]-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C44H77FN2O8 MolecularWeight: 781.089183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H77FN2O8/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(49)52-34-39(41(45)43-42(47-36(4)48)37(33-46)32-38(53-43)44(50)51)55-54-35(3)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h32-33,37,39,41-43,46H,3,5-31,34H2,1-2,4H3,(H,47,48)(H,50,51)