5-[[(2E,4E)-hexa-2,4-dienoyl]amino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-[[(2E,4E)-hexa-2,4-dienoyl]amino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[[(2E,4E)-hexa-2,4-dienoyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[(2E,4E)-1-oxohexa-2,4-dienyl]amino]hexanoic acid IUPAC Name: 5-[[(2E,4E)-hexa-2,4-dienoyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 5-[[(2E,4E)-hexa-2,4-dienoyl]amino]-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C28H46N2O6 MolecularWeight: 506.67464

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C/C=C/C=C/C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C28H46N2O6/c1-2-3-15-20-25(32)29-24(19-18-22-27(34)35)28(36)30-26(33)21-16-13-11-9-7-5-4-6-8-10-12-14-17-23-31/h2-3,15,20,23-24H,4-14,16-19,21-22H2,1H3,(H,29,32)(H,34,35)(H,30,33,36)/b3-2+,20-15+