drawing BINAP

User 2876451752

14-09-2011 08:47:13


Good morning,




I am trying to represent the structure of BINAP with Marvin Sketch 5.3.8 and
then convert it as a Smiles or Extended Smiles to save into the
database.


The chirality seems to get lost.




Thanks,

Vincent



ChemAxon 25dcd765a3

14-09-2011 13:19:48

As far as I know this type of axial chirality is not supported by smiles.


Correct me if I'm wrong.

User 2876451752

15-09-2011 09:04:03

Ok,

thank you for your answer.

ChemAxon 25dcd765a3

15-09-2011 09:34:57

We are trying to solve these smiles unsupported stereo features in cxsmiles format in the next year.