|
| Ligand ID | VJW |
| InChI | InChI=1S/C17H20N2O6/c1-8-13(20)14(21)15(22)17(24-8)19-16(23)12-6-5-11(25-12)9-3-2-4-10(18)7-9/h2-8,13-15,17,20-22H,18H2,1H3,(H,19,23)/t8-,13+,14+,15-,17-/m0/s1 |
| InChIKey | QWRWVIPPQRQFMW-VUBKLASDSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc(o2)c3cccc(c3)N)O)O)O | | CACTVS 3.385 | C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(N)c3)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)NC(=O)c2ccc(o2)c3cccc(c3)N)O)O)O | | CACTVS 3.385 | C[C@@H]1O[C@H](NC(=O)c2oc(cc2)c3cccc(N)c3)[C@@H](O)[C@H](O)[C@@H]1O |
|
| Formula | C17 H20 N2 O6 |
| Name | 5-(3-aminophenyl)furan-2-carboxamido-(beta-L-fucopyranose);
5-(3-aminophenyl)-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 7olw Chain AAA Residue 201
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
