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| Ligand ID | 9VP |
| InChI | InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1 |
| InChIKey | AUOXJUOLLXNWIV-MMDZMLKVSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N[CH]1C[CH](F)[CH](O[CH]1[CH](O)[CH](O)CO)C(O)=O | | OpenEye OEToolkits 2.0.6 | CC(=O)NC1CC(C(OC1C(C(CO)O)O)C(=O)O)F | | OpenEye OEToolkits 2.0.6 | CC(=O)N[C@@H]1C[C@H]([C@H](O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)F | | ACDLabs 12.01 | OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C | | CACTVS 3.385 | CC(=O)N[C@@H]1C[C@@H](F)[C@H](O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |
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| Formula | C11 H18 F N O7 |
| Name | 5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid;
5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5w26 Chain A Residue 515
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