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

Systemtic Name: 3-acetamido-2-(1-fluoranyl-3-hexanoyloxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(1-fluoro-3-hexanoyloxy-2-hydroxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-fluoro-2-hydroxy-3-(1-oxohexoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-fluoro-3-hexanoyloxy-2-hydroxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(3-caproyloxy-1-fluoro-2-hydroxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C18H27FN2O7 MolecularWeight: 402.414583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27FN2O7/c1-3-4-5-6-14(24)27-9-12(23)15(19)17-16(21-10(2)22)11(8-20)7-13(28-17)18(25)26/h7-8,11-12,15-17,20,23H,3-6,9H2,1-2H3,(H,21,22)(H,25,26)