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| Ligand ID | SLM |
| InChI | InChI=1S/C11H20N2O8/c1-4(15)13-7-5(16)2-11(20,10(12)19)21-9(7)8(18)6(17)3-14/h5-9,14,16-18,20H,2-3H2,1H3,(H2,12,19)(H,13,15)/t5-,6+,7+,8+,9+,11-/m0/s1 |
| InChIKey | PKSULYZGXFBQIQ-PFQGKNLYSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)N)O)O | | OpenEye OEToolkits 1.6.1 | CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)N)O)O | | CACTVS 3.352 | CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(N)=O | | CACTVS 3.352 | CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(N)=O | | ACDLabs 10.04 | O=C(N)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1 |
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| Formula | C11 H20 N2 O8 |
| Name | (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide;
SIALYLAMIDE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000087527805
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| PDB chain | 2xwo Chain A Residue 1309
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