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

Systemtic Name: (phenylmethyl) 5-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[[methyl(2-pyridyl)carbamoyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[[methyl(2-pyridinyl)amino]-oxomethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[methyl(pyridin-2-yl)carbamoyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-[[methyl(2-pyridyl)carbamoyl]amino]hexanoic acid benzyl ester Formula: C36H52N4O6 MolecularWeight: 636.82128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=N1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

Isomeric SMILES

CN(C1=CC=CC=N1)C(=O)NC(CCCC(=O)OCC2=CC=CC=C2)C(=O)NC(=O)CCCCCCCCCCCCCCC=O

InChI

InChI=1S/C36H52N4O6/c1-40(32-24-17-18-27-37-32)36(45)38-31(23-20-26-34(43)46-29-30-21-14-13-15-22-30)35(44)39-33(42)25-16-11-9-7-5-3-2-4-6-8-10-12-19-28-41/h13-15,17-18,21-22,24,27-28,31H,2-12,16,19-20,23,25-26,29H2,1H3,(H,38,45)(H,39,42,44)