5-[(6-methylpyridin-2-yl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid

Systemtic Name: 5-[(6-methylpyridin-2-yl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoic acid Openeye Name: 5-[(6-methylpyridine-2-carbonyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[(6-methyl-2-pyridinyl)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 5-[(6-methylpyridine-2-carbonyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoic acid Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[(6-methylpicolinoyl)amino]hexanoic acid Formula: C29H45N3O6 MolecularWeight: 531.6841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)NC(CCCC(=O)O)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C29H45N3O6/c1-23-17-15-18-24(30-23)28(37)31-25(19-16-21-27(35)36)29(38)32-26(34)20-13-11-9-7-5-3-2-4-6-8-10-12-14-22-33/h15,17-18,22,25H,2-14,16,19-21H2,1H3,(H,31,37)(H,35,36)(H,32,34,38)