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

Systemtic Name: 3-acetamido-2-(3-dodecanoyloxy-1-methoxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(3-dodecanoyloxy-2-hydroxy-1-methoxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[2-hydroxy-1-methoxy-3-(1-oxododecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(3-dodecanoyloxy-2-hydroxy-1-methoxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-formimidoyl-2-(2-hydroxy-3-lauroyloxy-1-methoxy-propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C25H42N2O8 MolecularWeight: 498.60958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42N2O8/c1-4-5-6-7-8-9-10-11-12-13-21(30)34-16-19(29)23(33-3)24-22(27-17(2)28)18(15-26)14-20(35-24)25(31)32/h14-15,18-19,22-24,26,29H,4-13,16H2,1-3H3,(H,27,28)(H,31,32)