(phenylmethyl) 5-[2-(1H-imidazol-5-yl)ethanoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate

Systemtic Name: (phenylmethyl) 5-[2-(1H-imidazol-5-yl)ethanoylamino]-6-oxidanylidene-6-(16-oxidanylidenehexadecanoylamino)hexanoate Openeye Name: benzyl 5-[[2-(1H-imidazol-5-yl)acetyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate CAS Name: 6-(1,16-dioxohexadecylamino)-5-[[2-(1H-imidazol-5-yl)-1-oxoethyl]amino]-6-oxohexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[2-(1H-imidazol-5-yl)acetyl]amino]-6-oxo-6-(16-oxohexadecanoylamino)hexanoate Traditional Name: 5-[[2-(1H-imidazol-5-yl)acetyl]amino]-6-keto-6-(16-ketohexadecanoylamino)hexanoic acid benzyl ester Formula: C34H50N4O6 MolecularWeight: 610.784

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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)CC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCC(C(=O)NC(=O)CCCCCCCCCCCCCCC=O)NC(=O)CC2=CN=CN2

InChI

InChI=1S/C34H50N4O6/c39-23-16-11-9-7-5-3-1-2-4-6-8-10-15-21-31(40)38-34(43)30(37-32(41)24-29-25-35-27-36-29)20-17-22-33(42)44-26-28-18-13-12-14-19-28/h12-14,18-19,23,25,27,30H,1-11,15-17,20-22,24,26H2,(H,35,36)(H,37,41)(H,38,40,43)