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| Ligand ID | 8LM |
| InChI | InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1 |
| InChIKey | HLCFXRXMEMQOHX-RTKZEXODSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(C)C(=O)N[C@@H]1[C@H](C(=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O | | OpenEye OEToolkits 2.0.6 | CC(C)C(=O)NC1C(C(=C(OC1C(C(CO)O)O)C(=O)O)n2cc(nn2)c3ccccc3)O | | CACTVS 3.385 | CC(C)C(=O)N[CH]1[CH](O)C(=C(O[CH]1[CH](O)[CH](O)CO)C(O)=O)n2cc(nn2)c3ccccc3 | | CACTVS 3.385 | CC(C)C(=O)N[C@@H]1[C@@H](O)C(=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O)n2cc(nn2)c3ccccc3 | | ACDLabs 12.01 | C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C |
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| Formula | C21 H26 N4 O8 |
| Name | 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6c0m Chain A Residue 611
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[View ligand structure]
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