| PDB CCD ID: | 13A |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C9 H12 N4 O7 S |
| InChI: | InChI=1S/C9H12N4O7S/c14-1-3-5(15)6(16)9(20-3)13-2-10-4-7(13)11-21(18,19)12-8(4)17/h2-3,5-6,9,11,14-16H,1H2,(H,12,17)/t3-,5-,6-,9-/m1/s1 |
| InChIKey: | IHLOTZVBEUFDMD-UUOKFMHZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N[S](=O)(=O)Nc23 | | CACTVS 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)N[S](=O)(=O)Nc23 | | OpenEye OEToolkits 1.5.0 | c1nc2c(n1C3C(C(C(O3)CO)O)O)NS(=O)(=O)NC2=O | | OpenEye OEToolkits 1.5.0 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NS(=O)(=O)NC2=O | | ACDLabs 10.04 | O=C3NS(=O)(=O)Nc1c3ncn1C2OC(CO)C(O)C2O |
|
| Name: | 7-(3,4-DIHYDROXY-5R-HYDROXYMETHYLTETRAHYDROFURAN-2-YL)-2,2-DIOXO-1,2R,3R,7-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-4S-ONE |
| ChEMBL: | CHEMBL485481 |
| ZINC: | ZINC000014979157 |
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