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

Systemtic Name: 3-acetamido-4-(iminomethyl)-2-(1-methoxy-3-octanoyloxy-2-oxidanyl-propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(2-hydroxy-1-methoxy-3-octanoyloxy-propyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 3-acetamido-2-[2-hydroxy-1-methoxy-3-(1-oxooctoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(2-hydroxy-1-methoxy-3-octanoyloxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-2-(3-caprylyloxy-2-hydroxy-1-methoxy-propyl)-4-formimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C21H34N2O8 MolecularWeight: 442.50326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O8/c1-4-5-6-7-8-9-17(26)30-12-15(25)19(29-3)20-18(23-13(2)24)14(11-22)10-16(31-20)21(27)28/h10-11,14-15,18-20,22,25H,4-9,12H2,1-3H3,(H,23,24)(H,27,28)