[(E)-8-[3-[[[2-(hexanoylamino)-2-methyl-propanoyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-oxidanylidene-oct-6-enyl] ethanoate

Systemtic Name: [(E)-8-[3-[[[2-(hexanoylamino)-2-methyl-propanoyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-oxidanylidene-oct-6-enyl] ethanoate Openeye Name: [(E)-8-[3-[[[2-(hexanoylamino)-2-methyl-propanoyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-oxo-oct-6-enyl] acetate CAS Name: acetic acid [(E)-8-[3-[[[2-methyl-1-oxo-2-(1-oxohexylamino)propyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-oxooct-6-enyl] ester IUPAC Name: [(E)-8-[3-[[[2-(hexanoylamino)-2-methylpropanoyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-oxooct-6-enyl] acetate Traditional Name: acetic acid [(E)-8-[3-[[[2-(caproylamino)-2-methyl-propanoyl]amino]methyl]-7-oxabicyclo[2.2.1]heptan-2-yl]-2-keto-oct-6-enyl] ester Formula: C27H44N2O6 MolecularWeight: 492.64806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C)(C)C(=O)NCC1C2CCC(C1CC=CCCCC(=O)COC(=O)C)O2

Isomeric SMILES

CCCCCC(=O)NC(C)(C)C(=O)NCC1C2CCC(C1C/C=C/CCCC(=O)COC(=O)C)O2

InChI

InChI=1S/C27H44N2O6/c1-5-6-9-14-25(32)29-27(3,4)26(33)28-17-22-21(23-15-16-24(22)35-23)13-11-8-7-10-12-20(31)18-34-19(2)30/h8,11,21-24H,5-7,9-10,12-18H2,1-4H3,(H,28,33)(H,29,32)/b11-8+