| PDB CCD ID: | S0S |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C10 H14 N2 O3 S |
| InChI: | InChI=1S/C10H14N2O3S/c13-10-7-16(14,15)6-9(10)12-5-8-2-1-3-11-4-8/h1-4,9-10,12-13H,5-7H2/t9-,10-/m0/s1 |
| InChIKey: | HNCRLYXMUJVCNN-UWVGGRQHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2 | | OpenEye OEToolkits 2.0.6 | c1cc(cnc1)CNC2CS(=O)(=O)CC2O | | OpenEye OEToolkits 2.0.6 | c1cc(cnc1)CN[C@H]2CS(=O)(=O)C[C@@H]2O | | CACTVS 3.385 | O[C@H]1C[S](=O)(=O)C[C@@H]1NCc2cccnc2 |
|
| Name: | (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol |
| ZINC: | ZINC000000967126 |
umich.edu