(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-4-ylcarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(pyridin-4-ylcarbonylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyridine-4-carbonylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(pyridin-4-yl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(pyridine-4-carbonylamino)hexanoate Traditional Name: 5-isonicotinamido-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C35H49N3O6 MolecularWeight: 607.78006

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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)C2=CC=NC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C35H49N3O6/c39-27-16-11-9-7-5-3-1-2-4-6-8-10-15-21-32(40)38-35(43)31(37-34(42)30-23-25-36-26-24-30)20-17-22-33(41)44-28-29-18-13-12-14-19-29/h12-14,18-19,23-27,31H,1-11,15-17,20-22,28H2,(H,37,42)(H,38,40,43)