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

Systemtic Name: 3-acetamido-2-(1-fluoranyl-3-hexadecanoyloxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(1-fluoro-3-hexadecanoyloxy-2-hydroxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-fluoro-2-hydroxy-3-(1-oxohexadecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-fluoro-3-hexadecanoyloxy-2-hydroxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(1-fluoro-3-hexadecanoyloxy-2-hydroxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C28H47FN2O7 MolecularWeight: 542.680383

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)O

Isomeric SMILES

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

InChI

InChI=1S/C28H47FN2O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(34)37-19-22(33)25(29)27-26(31-20(2)32)21(18-30)17-23(38-27)28(35)36/h17-18,21-22,25-27,30,33H,3-16,19H2,1-2H3,(H,31,32)(H,35,36)