[(4E,7E)-1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)trideca-4,7-dien-2-yl] 2-acetamido-4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: [(4E,7E)-1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)trideca-4,7-dien-2-yl] 2-acetamido-4-azanyl-4-oxidanylidene-butanoate Openeye Name: [(3E,6E)-1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]dodeca-3,6-dienyl] 2-acetamido-4-amino-4-oxo-butanoate CAS Name: 2-acetamido-4-amino-4-oxobutanoic acid [(4E,7E)-1-(3-hexyl-4-oxo-2-oxetanyl)trideca-4,7-dien-2-yl] ester IUPAC Name: [(4E,7E)-1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl] 2-acetamido-4-amino-4-oxobutanoate Traditional Name: 2-acetamido-4-amino-4-keto-butyric acid [(3E,6E)-1-[(3-hexyl-4-keto-oxetan-2-yl)methyl]dodeca-3,6-dienyl] ester Formula: C28H46N2O6 MolecularWeight: 506.67464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)CC(CC=CCC=CCCCCC)OC(=O)C(CC(=O)N)NC(=O)C

Isomeric SMILES

CCCCCCC1C(OC1=O)CC(C/C=C/C/C=C/CCCCC)OC(=O)C(CC(=O)N)NC(=O)C

InChI

InChI=1S/C28H46N2O6/c1-4-6-8-10-11-12-13-14-15-17-22(35-28(34)24(20-26(29)32)30-21(3)31)19-25-23(27(33)36-25)18-16-9-7-5-2/h11-12,14-15,22-25H,4-10,13,16-20H2,1-3H3,(H2,29,32)(H,30,31)/b12-11+,15-14+