User 0d64032b61
02-09-2015 02:14:33
Hi,
When I pasted or converted from a SMILES in Marvin Sketch, I found the stereo was lost occationally, for example the following one:
N[C@H](C(=O)[O-])CCC(=O)O.[K+]
It will be depicted in Sketch as the below:
(figure 1)
However some are correct, for example:
C[C@@H](CCC(O)=O)C(O)=O
it is depicted as:
(figure 2)
I also found the same problem when using JChem for Excel converting SMILES or Nomenclature to structure, for example, the conversion from nomenclature "Potassium (S)-2-amino-4-carboxybutanoate" will neglect the stereo indication "(S)-" as figure-1 shows.
I wonder if that performance is reasonable. The ones which lost stereo are confusing and bring inconsistency to my structure processing. Would you please help me to handle it?
The system is Windows 8.1 with Marvin Sketch 15.6, and JChem4Excel 15.6.
ctsun