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

Systemtic Name: (phenylmethyl) 6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)-5-(quinolin-3-ylcarbamoylamino)hexanoate Openeye Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(3-quinolylcarbamoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-6-oxo-5-[[oxo-(3-quinolinylamino)methyl]amino]hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-oxo-6-(16-oxohexadecanoylamino)-5-(quinolin-3-ylcarbamoylamino)hexanoate Traditional Name: 6-keto-6-(16-ketohexadecanoylamino)-5-(3-quinolylcarbamoylamino)hexanoic acid benzyl ester Formula: C39H52N4O6 MolecularWeight: 672.85338

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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=CC3=CC=CC=C3N=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)NC2=CC3=CC=CC=C3N=C2

InChI

InChI=1S/C39H52N4O6/c44-27-18-11-9-7-5-3-1-2-4-6-8-10-15-25-36(45)43-38(47)35(24-19-26-37(46)49-30-31-20-13-12-14-21-31)42-39(48)41-33-28-32-22-16-17-23-34(32)40-29-33/h12-14,16-17,20-23,27-29,35H,1-11,15,18-19,24-26,30H2,(H2,41,42,48)(H,43,45,47)