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

Systemtic Name: 3-acetamido-2-(1-fluoranyl-3-octadecanoyloxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(1-fluoro-2-hydroxy-3-octadecanoyloxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-fluoro-2-hydroxy-3-(1-oxooctadecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(1-fluoro-2-hydroxy-3-octadecanoyloxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(1-fluoro-2-hydroxy-3-stearoyloxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C30H51FN2O7 MolecularWeight: 570.733543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H51FN2O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(36)39-21-24(35)27(31)29-28(33-22(2)34)23(20-32)19-25(40-29)30(37)38/h19-20,23-24,27-29,32,35H,3-18,21H2,1-2H3,(H,33,34)(H,37,38)