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

Systemtic Name: 3-acetamido-4-(iminomethyl)-2-(1-methoxy-2-oxidanyl-3-tetradecanoyloxy-propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(2-hydroxy-1-methoxy-3-tetradecanoyloxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[2-hydroxy-1-methoxy-3-(1-oxotetradecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(2-hydroxy-1-methoxy-3-tetradecanoyloxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-formimidoyl-2-(2-hydroxy-1-methoxy-3-tetradecanoyloxy-propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C27H46N2O8 MolecularWeight: 526.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)C=N)NC(=O)C)OC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)C=N)NC(=O)C)OC)O

InChI

InChI=1S/C27H46N2O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-23(32)36-18-21(31)25(35-3)26-24(29-19(2)30)20(17-28)16-22(37-26)27(33)34/h16-17,20-21,24-26,28,31H,4-15,18H2,1-3H3,(H,29,30)(H,33,34)