| PDB CCD ID: | PTS |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H12 N2 O4 S3 |
| InChI: | InChI=1S/C8H12N2O4S3/c1-4-2-6(9)5-3-7(17(10,13)14)15-8(5)16(4,11)12/h3-4,6H,2,9H2,1H3,(H2,10,13,14)/t4-,6-/m0/s1 |
| InChIKey: | HVURBRAECUMAHY-NJGYIYPDSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=S(=O)(c1sc2c(c1)C(N)CC(C)S2(=O)=O)N | | OpenEye OEToolkits 1.5.0 | C[C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)N)N | | CACTVS 3.341 | C[CH]1C[CH](N)c2cc(sc2[S]1(=O)=O)[S](N)(=O)=O | | OpenEye OEToolkits 1.5.0 | CC1CC(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N | | CACTVS 3.341 | C[C@H]1C[C@H](N)c2cc(sc2[S]1(=O)=O)[S](N)(=O)=O |
|
| Name: | (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE |
| ChEMBL: | CHEMBL475 |
| ZINC: | ZINC000006932783 |
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