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| Ligand ID | 9SP |
| InChI | InChI=1S/C11H17F2NO7/c1-4(16)14-6-7(18)9(12)11(13,10(19)20)21-8(6)5(17)2-3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9-,11-/m1/s1 |
| InChIKey | SVILRGMXTMNWJP-XYLHZXCYSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[CH](O)CCO)C(O)=O | | OpenEye OEToolkits 2.0.6 | CC(=O)N[C@@H]1[C@H]([C@H]([C@@](O[C@H]1[C@@H](CCO)O)(C(=O)O)F)F)O | | ACDLabs 12.01 | OC(C1(OC(C(O)CCO)C(C(C1F)O)NC(=O)C)F)=O | | CACTVS 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@@](F)(O[C@H]1[C@H](O)CCO)C(O)=O | | OpenEye OEToolkits 2.0.6 | CC(=O)NC1C(C(C(OC1C(CCO)O)(C(=O)O)F)F)O |
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| Formula | C11 H17 F2 N O7 |
| Name | (2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid;
(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R})-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c arboxylic acid |
| ChEMBL | CHEMBL4125754 |
| DrugBank | |
| ZINC |
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| PDB chain | 5w2w Chain A Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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