(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-2-ylcarbamoylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-2-ylcarbamoylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(2-pyridylcarbamoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo-(2-pyridinylamino)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyridin-2-ylcarbamoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(2-pyridylcarbamoylamino)hexanoic acid benzyl ester Formula: C35H50N4O6 MolecularWeight: 622.7947

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C35H50N4O6/c40-27-18-11-9-7-5-3-1-2-4-6-8-10-15-24-32(41)39-34(43)30(37-35(44)38-31-23-16-17-26-36-31)22-19-25-33(42)45-28-29-20-13-12-14-21-29/h12-14,16-17,20-21,23,26-27,30H,1-11,15,18-19,22,24-25,28H2,(H,39,41,43)(H2,36,37,38,44)