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

Systemtic Name: 3-acetamido-2-(3-hexadecanoyloxy-1-methoxy-2-oxidanyl-propyl)-4-(iminomethyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 3-acetamido-2-(3-hexadecanoyloxy-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-oxohexadecoxy)propyl]-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 3-acetamido-2-(3-hexadecanoyloxy-2-hydroxy-1-methoxypropyl)-4-methanimidoyl-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 3-acetamido-4-formimidoyl-2-(3-hexadecanoyloxy-2-hydroxy-1-methoxy-propyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C29H50N2O8 MolecularWeight: 554.7159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H50N2O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(34)38-20-23(33)27(37-3)28-26(31-21(2)32)22(19-30)18-24(39-28)29(35)36/h18-19,22-23,26-28,30,33H,4-17,20H2,1-3H3,(H,31,32)(H,35,36)