| PDB CCD ID: | 19D |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H16 F N O8 |
| InChI: | InChI=1S/C11H16FNO8/c1-3(15)13-5-6(17)9(12)11(10(18)19)20-7(4(16)2-14)8(5)21-11/h4-9,14,16-17H,2H2,1H3,(H,13,15)(H,18,19)/t4-,5-,6-,7-,8-,9-,11-/m1/s1 |
| InChIKey: | JCWSZUBTEOFKAD-DAXAGCIGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | CC(=O)N[C@@H]1[C@H]([C@H]([C@@]2(O[C@H]1[C@H](O2)[C@@H](CO)O)C(=O)O)F)O | | CACTVS 3.370 | CC(=O)N[CH]1[CH](O)[CH](F)[C]2(O[CH]([CH](O)CO)[CH]1O2)C(O)=O | | OpenEye OEToolkits 1.7.6 | CC(=O)NC1C(C(C2(OC1C(O2)C(CO)O)C(=O)O)F)O | | ACDLabs 12.01 | O=C(O)C12OC(C(O1)C(NC(=O)C)C(O)C2F)C(O)CO | | CACTVS 3.370 | CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@]2(O[C@H]([C@H](O)CO)[C@@H]1O2)C(O)=O |
|
| Name: | (1R,2R,3R,4R,5R,7R)-2-(acetylamino)-7-[(1R)-1,2-dihydroxyethyl]-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid |
| ZINC: | ZINC000263620589 |
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