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

Systemtic Name: 3-acetamido-2-(3-dodecanoyloxy-1-ethoxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(3-dodecanoyloxy-1-ethoxy-2-hydroxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[1-ethoxy-2-hydroxy-3-(1-oxododecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(3-dodecanoyloxy-1-ethoxy-2-hydroxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(1-ethoxy-2-hydroxy-3-lauroyloxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C26H44N2O8 MolecularWeight: 512.63616

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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)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C26H44N2O8/c1-4-6-7-8-9-10-11-12-13-14-22(31)35-17-20(30)24(34-5-2)25-23(28-18(3)29)19(16-27)15-21(36-25)26(32)33/h15-16,19-20,23-25,27,30H,4-14,17H2,1-3H3,(H,28,29)(H,32,33)