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

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-5-ylcarbonylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-5-carbonylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo(5-quinolinyl)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-5-carbonylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(quinoline-5-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=C3C=CC=NC3=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C2=C3C=CC=NC3=CC=C2

InChI

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