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| Ligand ID | LEC |
| InChI | InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14-/m1/s1 |
| InChIKey | OMRLTNCLYHKQCK-DHGKCCLASA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.341 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O | | CACTVS 3.341 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccc(cc2)[N+]([O-])=O | | OpenEye OEToolkits 1.5.0 | CC(=O)NC1C(C(C(OC1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O | | OpenEye OEToolkits 1.5.0 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1Oc2ccc(cc2)[N+](=O)[O-])CO)O)O | | ACDLabs 10.04 | [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1NC(=O)C)CO)cc2 |
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| Formula | C14 H18 N2 O8 |
| Name | 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]ethanamide;
4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucoside;
4-nitrophenyl 2-acetamido-2-deoxy-D-glucoside;
4-nitrophenyl 2-acetamido-2-deoxy-glucoside |
| ChEMBL | CHEMBL595014 |
| DrugBank | DB18294 |
| ZINC | ZINC000002150875
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| PDB chain | 5ggn Chain A Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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