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| Ligand ID | UKF |
| InChI | InChI=1S/C24H35N5O7/c30-14-19-21(32)22(33)20(31)13-28(19)11-4-2-1-3-10-25-17-9-8-16(12-18(17)29(34)35)23-26-24(36-27-23)15-6-5-7-15/h8-9,12,15,19-22,25,30-33H,1-7,10-11,13-14H2/t19-,20+,21-,22-/m1/s1 |
| InChIKey | QTIHMFZOPONAII-CIAFKFPVSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CCC4 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O-])NCCCCCCN4CC(C(C(C4CO)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CCC4 | | ACDLabs 12.01 | OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc(on1)C1CCC1 | | OpenEye OEToolkits 2.0.7 | c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O-])NCCCCCCN4C[C@@H]([C@H]([C@@H]([C@H]4CO)O)O)O |
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| Formula | C24 H35 N5 O7 |
| Name | (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8e4z Chain B Residue 901
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[View ligand structure]
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