(phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-3-ylcarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-3-ylcarbonylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(3-quinolinyl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoic acid benzyl ester Formula: C39H51N3O6 MolecularWeight: 657.83874

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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=CC3=CC=CC=C3N=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C39H51N3O6/c43-27-18-11-9-7-5-3-1-2-4-6-8-10-15-25-36(44)42-39(47)35(24-19-26-37(45)48-30-31-20-13-12-14-21-31)41-38(46)33-28-32-22-16-17-23-34(32)40-29-33/h12-14,16-17,20-23,27-29,35H,1-11,15,18-19,24-26,30H2,(H,41,46)(H,42,44,47)