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

Systemtic Name: 5-[ethanoyl(pyridin-2-yl)amino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[acetyl(2-pyridyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 5-[acetyl(2-pyridinyl)amino]-6-(1,16-dioxohexadecylamino)-6-oxohexanoic acid IUPAC Name: 5-[acetyl(pyridin-2-yl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 5-[acetyl(2-pyridyl)amino]-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid Formula: C29H45N3O6 MolecularWeight: 531.6841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N3O6/c1-24(34)32(26-19-14-15-22-30-26)25(18-17-21-28(36)37)29(38)31-27(35)20-13-11-9-7-5-3-2-4-6-8-10-12-16-23-33/h14-15,19,22-23,25H,2-13,16-18,20-21H2,1H3,(H,36,37)(H,31,35,38)