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| Ligand ID | A1H3V |
| InChI | InChI=1S/C8H13NO5/c10-2-3-1-4-5(7(12)6(3)11)9-8(13)14-4/h3-7,10-12H,1-2H2,(H,9,13)/t3-,4+,5+,6-,7-/m1/s1 |
| InChIKey | MSEYXKZOSYTDQB-VOQCIKJUSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | C1C(C(C(C2C1OC(=O)N2)O)O)CO | | OpenEye OEToolkits 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@@H]2[C@H]1OC(=O)N2)O)O)CO | | CACTVS 3.385 | OC[CH]1C[CH]2OC(=O)N[CH]2[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H]1C[C@@H]2OC(=O)N[C@@H]2[C@@H](O)[C@@H]1O |
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| Formula | C8 H13 N O5 |
| Name | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one;
alpha-1,2-cyclophellitol analogue |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8rvk Chain A Residue 801
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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