(phenylmethyl) 5-[(6-methylpyridin-2-yl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[(6-methylpyridin-2-yl)carbonylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[(6-methylpyridine-2-carbonyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[(6-methyl-2-pyridinyl)-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(6-methylpyridine-2-carbonyl)amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[(6-methylpicolinoyl)amino]hexanoic acid benzyl ester Formula: C36H51N3O6 MolecularWeight: 621.80664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C36H51N3O6/c1-29-20-18-23-31(37-29)35(43)38-32(24-19-26-34(42)45-28-30-21-14-13-15-22-30)36(44)39-33(41)25-16-11-9-7-5-3-2-4-6-8-10-12-17-27-40/h13-15,18,20-23,27,32H,2-12,16-17,19,24-26,28H2,1H3,(H,38,43)(H,39,41,44)