0000000000704310

AUTHOR

Liliana Mazur

showing 2 related works from this author

Molecular and crystal structure of Nα-(9-fluorenyl)-methoxycarbonyl-L-ornithine hydrochloride diethyl ether solvate

2002

The solid-state conformation of the first N-protected ornithine derivative has been established by X-ray analysis. The hydrochloride of Nα-(9-fluorenyl)methoxycarbonyl-l-ornithine crystallises as diethyl ether solvate. The backbone (ω0 ϕ, ψ χ1) torsion angles are (174.9°,–84.0°, 145.9°,–171.0°). The conformation of the urethane amide bonds istrans. The ornithine aliphatic side chain adopts preferred fully extended conformation which is stabilised by the hydrogen bonding of the-NH3+ group to the diethyl ether molecule, carboxyl group and Cl− anions.

HydrochlorideHydrogen bondStereochemistryL-OrnithineBioengineeringCrystal structureOrnithineBiochemistryMedicinal chemistryAnalytical Chemistrychemistry.chemical_compoundchemistryDrug DiscoverySide chainMolecular MedicineMoleculeDiethyl etherLetters in Peptide Science
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Geometrical and conformational preferences of the 9‐fluorenylmethoxycarbonyl‐amino moiety

2004

Structural parameters, originating from x-ray crystallographic data, have been compiled for 13 derivatives of amino acids, peptides and related compounds, which contain a total of 14 Fmoc-NH- moieties. For these moieties, molecular geometries and conformations--described by the omegao, theta1, theta2 and theta3' torsion angles--were analysed and compared with the corresponding parameters for the Z-NH- and Boc-NH-moieties (290 and 553, respectively). To gain a deeper insight into the conformational features of the Fmoc-NH- moiety, ab initio free molecule calculations were performed for fully relaxed minima. Also the potential energy surface as a function of the torsion angles (theta3', theta…

crystal structureStereochemistryAb initioMolecular ConformationCrystal structureCrystallography X-RayBiochemistryBoc amino protectionStructure-Activity RelationshipfluoreneStructural BiologyAb initio quantum chemistry methodsDrug DiscoveryMoleculeMoietyurethane geometryFmoc amino protectionAmino AcidsMolecular BiologyPharmacologyFluorenesMolecular StructureChemistryHydrogen bondab initio calculationsOrganic ChemistryHydrogen BondingGeneral MedicineZ amino protectionMolecular geometryPotential energy surfaceMolecular MedicineCrystallizationPeptidesN‐terminally protected peptidesJournal of Peptide Science
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