6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-2-ylcarbamoylamino)hexanoic acid

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-2-ylcarbamoylamino)hexanoic acid Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(2-pyridylcarbamoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo-(2-pyridinylamino)methyl]amino]hexanoic acid IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyridin-2-ylcarbamoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(2-pyridylcarbamoylamino)hexanoic acid Formula: C28H44N4O6 MolecularWeight: 532.67216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

C1=CC=NC(=C1)NC(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C28H44N4O6/c33-22-15-11-9-7-5-3-1-2-4-6-8-10-12-19-25(34)32-27(37)23(17-16-20-26(35)36)30-28(38)31-24-18-13-14-21-29-24/h13-14,18,21-23H,1-12,15-17,19-20H2,(H,35,36)(H,32,34,37)(H2,29,30,31,38)