| PDB CCD ID: | 93A |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C9 H13 N4 O10 P S |
| InChI: | InChI=1S/C9H13N4O10PS/c14-5-3(1-22-24(17,18)19)23-9(6(5)15)13-2-10-4-7(13)11-25(20,21)12-8(4)16/h2-3,5-6,9,11,14-15H,1H2,(H,12,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1 |
| InChIKey: | JCAQMQLAHNGVPY-UUOKFMHZSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)N[S](=O)(=O)Nc23 | | ACDLabs 10.04 | O=P(O)(O)OCC3OC(n2cnc1C(=O)NS(=O)(=O)Nc12)C(O)C3O | | OpenEye OEToolkits 1.5.0 | c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O | | OpenEye OEToolkits 1.5.0 | c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)NS(=O)(=O)NC2=O | | CACTVS 3.341 | O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)N[S](=O)(=O)Nc23 |
|
| Name: | [3,4-DIHYDROXY-5R-(2,2,4-TRIOXO-1,2R,3S,4R-TETRAHYDRO-2L6-IMIDAZO[4,5-C][1,2,6]THIADIAZIN-7-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN PHOSPHATE |
| ChEMBL: | CHEMBL484861 |
| ZINC: | ZINC000014979160 |
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