Steffen Thomas
Author's posts
Nov 12
Link SciFinder-N and ACDLabs ChemSketch
A question asked again and again is, how can ChemSketch and SciFinder-N be effectively linked? Here is my way: Draw structure in ChemSketch Generate SMILES code and copy it to the clipboard Press the Draw button in the SciFInder-N structure search Copy the SMILES code in the upper right corner of the input line and …
Apr 12
Valin (Val, V)
NMR- Data [1] of valine: Atom Typ chemical shift [ppm]1 Random Coil chem. shift 3 Random Coil chem. shift 4 average σ5 entries2 H H 8.28 0.687 55381 8.03 8.02 Hα H 4.172 0.646 42441 4.12 4.44 Hβ H 1.976 0.474 39770 2.08 2.06 Hγ1 H 0.82 0.35 39325 0.94 0.97 Hγ2 H 0.80 0.462 38582 0.93 …
Apr 12
Tyrosine (Tyr, Y)
NMR- data [1] of tyrosine: Atom Atomtyp chemical shift [ppm]1 Random Coil chem. shift3 Random Coil chem. shift4 average standard deviation entries2 H H 8.304 0.739 25862 8.12 8.10 Hα H 4.615 0.569 19854 4.55 4.84 Hβ2 H 2.893 0.487 18588 3.03 3.05 Hβ3 H 2.831 0.505 18171 2.98 2.89 Hδ1 H 6.913 0.387 16267 …
Apr 12
Tryptophan (Trp, W)
NMR- data [1] of tryptophan: Atom Atomtyp chemical shift [ppm]1 Random Coil chem. shift 3 Random Coil chem. shift 4 average standard deviatiom entries2 H H 8.28 0.93 10154 8.25 8.09 Hα H 4.682 0.54 7779 4.66 4.99 Hβ2 H 3.174 0,355 7384 3.29 3.32 Hβ3 H 3.112 0.374 7181 3.27 3.16 Hδ1 H 7.126 …
Apr 12
Threonine (Thr, T)
NMR- data [1] of threonine: Atom Atomtyp chemical shift [ppm]1 Random Coil chem. shift3 Random Coil chem. shift 4 average standard deviation entrie2 H H 8.244 1.139 44831 8.15 8.15 Hα H 4.458 0.556 34443 4.35 4.61 Hβ H 4.172 0.837 31798 4.24 4.11 Hγ1 H 5.311 1.322 1227 – – Hγ2 H 1.139 0.331 …