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

Systemtic Name: 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid Openeye Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(2-pyridylmethylcarbamoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo-(2-pyridinylmethylamino)methyl]amino]hexanoic acid IUPAC Name: 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyridin-2-ylmethylcarbamoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(2-pyridylmethylcarbamoylamino)hexanoic acid Formula: C29H46N4O6 MolecularWeight: 546.69874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N4O6/c34-22-15-11-9-7-5-3-1-2-4-6-8-10-12-19-26(35)33-28(38)25(18-16-20-27(36)37)32-29(39)31-23-24-17-13-14-21-30-24/h13-14,17,21-22,25H,1-12,15-16,18-20,23H2,(H,36,37)(H2,31,32,39)(H,33,35,38)