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

Systemtic Name: methyl 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-3-ylcarbonylamino)hexanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(quinoline-3-carbonylamino)hexanoic acid methyl ester Formula: C33H47N3O6 MolecularWeight: 581.74278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C1=CC2=CC=CC=C2N=C1

Isomeric SMILES

COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)C1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C33H47N3O6/c1-42-31(39)22-17-20-29(35-32(40)27-24-26-18-14-15-19-28(26)34-25-27)33(41)36-30(38)21-13-11-9-7-5-3-2-4-6-8-10-12-16-23-37/h14-15,18-19,23-25,29H,2-13,16-17,20-22H2,1H3,(H,35,40)(H,36,38,41)