Search results for "trans-2"

showing 10 items of 17 documents

CCDC 245910: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

(+-)-trans-2-Fluoro-2-(4-fluorophenyl)cyclopropanecarboxylic acidSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 222577: Experimental Crystal Structure Determination

2004

Related Article: M.Alajarin, A.Vidal, F.Tovar, M.C.R.de Arellano|2004|Tetrahedron:Asymm.|15|489|doi:10.1016/j.tetasy.2003.11.025

(1R*2R*8S*)-12-cis-18-trans-28-Dimethyl-1-(4-nitrophenyl)-2-phenyl-12-dihydroazeto[21-b]quinazolineSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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VCD studies on cyclic peptides assembled from L-α-amino acids and a trans-2-aminocyclopentane- or trans-2-aminocyclohexane carboxylic acid.

2010

The increasing interest in peptidomimetics of biological relevance prompted us to synthesize a series of cyclic peptides comprising trans-2-aminocyclohexane carboxylic acid (Achc) or trans-2-aminocyclopentane carboxylic acid (Acpc). NMR experiments in combination with MD calculations were performed to investigate the three-dimensional structure of the cyclic peptides. These data were compared to the conformational information obtained by electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) spectroscopy. Experimental VCD spectra were compared to theoretical VCD spectra computed quantum chemically at B3LYP/6-31G(d) density functional theory (DFT) level. The good agreem…

Circular dichroismCyclohexanecarboxylic AcidsPeptidomimeticStereochemistryCarboxylic acidMolecular ConformationMolecular Dynamics SimulationBiochemistryelectronic circular dichroismPeptides CyclicMolecular dynamicsStructural BiologyDrug DiscoveryCycloleucineMolecular BiologyNuclear Magnetic Resonance BiomolecularPharmacologychemistry.chemical_classificationCyclohexylaminesCircular DichroismOrganic Chemistrycyclic peptidestrans-2-aminocyclopentaneGeneral Medicinevibrational circular dichroismCyclic peptideNMRAmino acidtrans-2-aminocyclohexane carboxylic acidchemistryVibrational circular dichroismMolecular MedicineDensity functional theorycarboxylic acidPeptidomimeticsJournal of peptide science : an official publication of the European Peptide Society
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CCDC 882133: Experimental Crystal Structure Determination

2012

Related Article: M.V.Leskinen, Kai-Tai Yip, A.Valkonen, P.M.Pihko|2012|J.Am.Chem.Soc.|134|5750|doi:10.1021/ja300684r

Methyl trans-2-(12-dimethyl-1H-indol-3-yl)-7-oxocycloheptanecarboxylateSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 280350: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

Space GroupCrystallographyCrystal System(+-)-trans-2-Fluoro-2-phenylcyclopropanecarboxamideCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 245916: Experimental Crystal Structure Determination

2006

Related Article: R.Frohlich, T.C.Rosen, O.G.J.Meyer, K.Rissanen, G.Haufe|2006|J.Mol.Struct.|787|50|doi:10.1016/j.molstruc.2005.10.033

Space GroupCrystallographyCrystal System(+-)-trans-2-Fluoro-2-phenylcyclopropanecarboxylic acidCrystal StructureCell ParametersExperimental 3D Coordinates
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CCDC 882134: Experimental Crystal Structure Determination

2012

Related Article: M.V.Leskinen, Kai-Tai Yip, A.Valkonen, P.M.Pihko|2012|J.Am.Chem.Soc.|134|5750|doi:10.1021/ja300684r

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersEthyl trans-2-(1H-indol-3-yl)-5-oxocyclopentanecarboxylateExperimental 3D Coordinates
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CCDC 163934: Experimental Crystal Structure Determination

2001

Related Article: A.Domanski, K.Ejsmont, J.B.Kyziol, J.Zaleski|2001|Acta Crystallogr.,Sect.C:Cryst.Struct.Commun.|57|467|doi:10.1107/S0108270101000518

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parametersbeta-trans-2-(4-Aminophenyl)-1-phenyldiazene 2-oxideExperimental 3D Coordinates
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CCDC 173785: Experimental Crystal Structure Determination

2004

Related Article: A.M.Costero, J.P.Villarroya, S.Gil, P.Gavina, M.C.R.De Arellano|2003|Supramol.Chem.|15|403|doi:10.1080/1061027031000116001

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstrans-258111417-Hexaoxabicyclo(16.4.0)docosa-2021-dicarboxylic acid chloroform solvate monohydrateExperimental 3D Coordinates
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CCDC 654058: Experimental Crystal Structure Determination

2009

Related Article: G.Bentabed-Ababsa, A.Derdour, T.Roisnel, J.A.Saez, L.R.Domingo, F.Mongin|2008|Org.Biomol.Chem.|6|3144|doi:10.1039/b804856h

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameterstrans-2-(4-Chlorophenyl)-55-dicyano-1'-methyl-spiro(13-dioxolane-43'-indolin)-2'-oneExperimental 3D Coordinates
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