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| Ligand ID | P8E |
| InChI | InChI=1S/C9H18N2O6/c1-3(12)5(10)7-6(11)4(13)2-9(16,17-7)8(14)15/h3-7,12-13,16H,2,10-11H2,1H3,(H,14,15)/t3-,4-,5-,6-,7-,9-/m0/s1 |
| InChIKey | ZFZFJUIKYIVPNP-YXGHPGITSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O | | OpenEye OEToolkits 2.0.7 | C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)N)N)O | | ACDLabs 12.01 | CC(O)C(C1OC(CC(C1N)O)(O)C(O)=O)N | | CACTVS 3.385 | C[C@H](O)[C@H](N)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1N)C(O)=O | | CACTVS 3.385 | C[CH](O)[CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O |
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| Formula | C9 H18 N2 O6 |
| Name | 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6x80 Chain R Residue 616
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