#1349 Incorrect stereo depiction

cdk-1.0.x
wont-fix
nobody
5
2014-12-28
2014-08-07
John May
No

The default layout of the following SMILES by the SDG makes it difficult to assign wedge/hatch bonds correctly. For this ordering one stereo centre in the bridged system is displayed incorrectly.

O(C([H])([H])[H])N1C(=O)[C@@]2(SS[C@@]3([C@]1(OC4=C(C(=C(Cl)C(=C43)[H])O[H])[H])C(N2[H])=O)[H])[H]

Discussion

  • John May
    John May
    2014-08-07

    Ticket moved from /p/cdk/patches/793/

    Can't be converted:

    • _branch: master
     
  • John May
    John May
    2014-12-28

    • status: open --> wont-fix
    • Group: Needs_Review --> cdk-1.0.x
     
  • John May
    John May
    2014-12-28

    Double checked and the stereo is correct but layout could still be better.