[3-[3-acetamido-4-[bis(azanyl)methylideneamino]-6-methyl-3,4-dihydro-2H-pyran-2-yl]-3-methoxy-2-oxidanyl-propyl] octanoate

Systemtic Name: [3-[3-acetamido-4-[bis(azanyl)methylideneamino]-6-methyl-3,4-dihydro-2H-pyran-2-yl]-3-methoxy-2-oxidanyl-propyl] octanoate Openeye Name: [3-(3-acetamido-4-guanidino-6-methyl-3,4-dihydro-2H-pyran-2-yl)-2-hydroxy-3-methoxy-propyl] octanoate CAS Name: octanoic acid [3-[3-acetamido-4-(diaminomethylideneamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]-2-hydroxy-3-methoxypropyl] ester IUPAC Name: [3-[3-acetamido-4-(diaminomethylideneamino)-6-methyl-3,4-dihydro-2H-pyran-2-yl]-2-hydroxy-3-methoxypropyl] octanoate Traditional Name: caprylic acid [3-(3-acetamido-4-guanidino-6-methyl-3,4-dihydro-2H-pyran-2-yl)-2-hydroxy-3-methoxy-propyl] ester Formula: C21H38N4O6 MolecularWeight: 442.54962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N4O6/c1-5-6-7-8-9-10-17(28)30-12-16(27)19(29-4)20-18(24-14(3)26)15(25-21(22)23)11-13(2)31-20/h11,15-16,18-20,27H,5-10,12H2,1-4H3,(H,24,26)(H4,22,23,25)