slm001.JPG

Descriptors

SMILES: O=C(CN)N(Cc1ccc(C)o1)C(c2ccc(O)c(O)c2)C(=O)NCc3ccccc3
N-[2-(benzylamino)-1-(3,4-dihydroxyphenyl)-2-oxoethyl]-N-[(5-methylfuran-2-yl)methyl]glycinamide
InChI=1/C23H25N3O5/c1-15-7-9-18(31-15)14-26(21(29)12-24)22(17-8-10-19(27)20(28)11-17)23(30)25-13-16-5-3-2-4-6-16/h2-11,22,27-28H,12-14,24H2,1H3,(H,25,30)
Molecular Formula: C23H25N3O5

Uses

Predicted to dock with enoyl reductase in D-EXP005 (listed as 3,4-dihydroxybenzaldehyde, benzyl ICN, Boc-Gly-OH, 5-MFA; R, uncyclized, deprotected G= -17.676)

SLURLS

On Drexel Island, in the area describing the UsefulChem project and showing this molecule as a potential anti-malarial compound.
http://slurl.com/secondlife/Drexel/220/219/25

On Drexel Island, showing the docking with the binding site in malarial enoyl reductase, as described here .
http://slurl.com/secondlife/Drexel/145/118/25

On Drexel Island, used as an icon for the Chemistry Department.
http://slurl.com/secondlife/Drexel/201/113/26

On Nature Island, used to show chirality to students.
http://slurl.com/secondlife/Second%20Nature/108/90/24