In the title compound, C(13)H(10)N(2)O(5)S, the C=O bond in the -SO(2)-NH-CO- segment is anti to the meta-nitro group in the benzoyl ring, while the N-C bond has gauche torsions with respect to the S=O bonds. The molecule is twisted at the N atom with a dihedral angle of 79.9 (2)° between the sulfonyl benzene ring and the -SO(2)-NH-CO- segment. Furthermore, the dihedral angle between the benzen...

1. Benzoic acid and p-nitrobenzoic acid were converted in the scorpion Palamnaeus into N(1)-benzoylagmatine and N(1)-p-nitrobenzoylagmatine. 2. Some benzoyl- and p-nitrobenzoyl-arginine were also formed and these compounds were probable precursors of the agmatine derivatives. 3. p-Nitrobenzoyl- and p-aminobenzoyl-arginine were formed in millipedes dosed with the aromatic acids. 4. Woodlice excr...

The title compound [systematic name: 3-hy-droxy-2-(4-methyl-sulfonyl-2-nitro-benzo-yl)cyclo-hex-2-enone], C14H13NO7S, is the enol form of a benzoyl-cyclo-hexa-nedione herbicide. As a result of this tautomerization, there is intra-molecular O-H⋯O hydrogen bond enclosing an S(6) ring motif. The cyclo-hexene ring has an envelope conformation, with the central CH2 C atom as the flap. Its mean plane...

The title compound, C(24)H(27)NO(9), is one of the epimers of the Henry reaction of 3-O-benzyl-6-O-benzoyl-2-O-isopropyl-idene-a-d-glucofuran-5-one with nitro-methane. The conformation of the five membered rings is as expected from the precursor compound and the mol-ecule is folded with a dihedral angle of 51.4 (2)° between the aromatic rings. One O-H⋯O hydrogen bond and some intra-molecular an...

The mechanisms of phosphoryl transfer enzymes have garnered considerable attention. Cyclic AMP-dependent protein kinase (cAPK) catalyzes the transfer of the γ phosphoryl group of ATP to the serine hydroxyl group of a peptide chain. Metal-containing fluoro species have been used as transition-state and ground-state analogues in a variety of phosphoryl transfer enzymes and have shed light on the ...

1,1,1,2,2,4,4,5,5,5-Decafluoro-3-phenyl-3-pentanol was prepared by a Cannizzaro-type disproportionation reaction, and the dimetallated compound was used as a bidentate ligand, which is bulkier than the Martin ligand (1,1,1,3,3,3-hexafluoro-2-phenyl-2-propanol). A P-H spirophosphorane was synthesized by utilizing the new bidentate ligand, and the structure of the product was essentially the same...

The hepatitis delta virus (HDV) ribozyme catalyzes a self-cleavage reaction using a combination of nucleobase and metal ion catalysis. Both divalent and monovalent ions can catalyze this reaction, although the rate is slower with monovalent ions alone. Herein, we use quantum mechanical/molecular mechanical (QM/MM) free energy simulations to investigate the mechanism of this ribozyme and to eluc...