| PDB CCD ID: | RCS |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H13 N2 O6 Re S |
| InChI: | InChI=1S/C13H13N2O3S.3CO.Re/c14-19(17,18)12-7-5-10(6-8-12)9-15-13(16)11-3-1-2-4-11;3*1-2;/h1-8H,9H2,(H,15,16)(H2,14,17,18);;;; |
| InChIKey: | RMIPOUPNRFHFRY-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]|4|5|6(|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|C(=C2|4)C|5=C3|6)cc1 | | OpenEye OEToolkits 1.7.2 | c1cc(ccc1CNC(=O)C23[CH]4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#O)S(=O)(=O)N |
|
| Name: | triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I) |
umich.edu