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| Ligand ID | 8VW |
| InChI | InChI=1S/C22H32N2O12/c1-9(27)23-21-14(24-20(32)10-4-3-5-11(6-10)33-2)16(29)19(13(8-26)34-21)36-22-18(31)17(30)15(28)12(7-25)35-22/h3-6,12-19,21-22,25-26,28-31H,7-8H2,1-2H3,(H,23,27)(H,24,32)/t12-,13-,14-,15+,16-,17+,18-,19-,21-,22+/m1/s1 |
| InChIKey | SQNUIUJICOQQJY-NQSBSUMMSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | CC(=O)NC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC | | CACTVS 3.385 | COc1cccc(c1)C(=O)N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](CO)O[C@H]2NC(C)=O | | CACTVS 3.385 | COc1cccc(c1)C(=O)N[CH]2[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](CO)O[CH]2NC(C)=O | | OpenEye OEToolkits 2.0.6 | CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)NC(=O)c3cccc(c3)OC |
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| Formula | C22 H32 N2 O12 |
| Name | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5nf9 Chain A Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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