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| Ligand ID | 9T1 |
| InChI | InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1 |
| InChIKey | CNGWPEUTMWFBNW-QITVGDPKSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(C(C1C(C(=O)C(C(O1)C(=O)O)F)NC(=O)C)O)O | | ACDLabs 12.01 | O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O | | CACTVS 3.385 | C[CH](O)[CH](O)[CH]1O[CH]([CH](F)C(=O)[CH]1NC(C)=O)C(O)=O | | OpenEye OEToolkits 2.0.6 | C[C@H]([C@H]([C@H]1[C@@H](C(=O)[C@H]([C@H](O1)C(=O)O)F)NC(=O)C)O)O | | CACTVS 3.385 | C[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]([C@H](F)C(=O)[C@H]1NC(C)=O)C(O)=O |
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| Formula | C11 H16 F N O7 |
| Name | 5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid;
5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5w2y Chain A Residue 516
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