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| Ligand ID | WKE |
| InChI | InChI=1S/C11H20N2O7/c1-4-7(13-10(18)6(16)3-14)9(17)8(11(19)20-4)12-5(2)15/h4,6-9,11,14,16-17,19H,3H2,1-2H3,(H,12,15)(H,13,18)/t4-,6-,7-,8-,9+,11-/m1/s1 |
| InChIKey | ZAABMPWLDGVWSW-VQYCFQGSSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1NC(=O)[CH](O)CO | | CACTVS 3.385 | C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1NC(=O)[C@H](O)CO | | OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)O)NC(=O)C)O)NC(=O)C(CO)O | | OpenEye OEToolkits 2.0.7 | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)NC(=O)[C@@H](CO)O |
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| Formula | C11 H20 N2 O7 |
| Name | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8p2v Chain A Residue 202
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