5-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[[methyl(2-pyridyl)carbamoyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[[methyl(2-pyridinyl)amino]-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 5-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[[methyl(2-pyridyl)carbamoyl]amino]hexanoic acid Formula: C29H46N4O6 MolecularWeight: 546.69874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CN(C1=CC=CC=N1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C29H46N4O6/c1-33(25-19-14-15-22-30-25)29(39)31-24(18-17-21-27(36)37)28(38)32-26(35)20-13-11-9-7-5-3-2-4-6-8-10-12-16-23-34/h14-15,19,22-24H,2-13,16-18,20-21H2,1H3,(H,31,39)(H,36,37)(H,32,35,38)