| PDB CCD ID: | AEZ |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H12 N2 O4 |
| InChI: | InChI=1S/C8H12N2O4/c11-1-3-4-5(10-2-9-4)7(13)8(14)6(3)12/h2-3,6-8,11-14H,1H2,(H,9,10)/t3-,6+,7-,8-/m0/s1 |
| InChIKey: | MTUBISADCTVQLI-FBXHKNTESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1[nH]c2c(n1)C(C(C(C2CO)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)c2nc[nH]c12 | | OpenEye OEToolkits 2.0.6 | c1[nH]c2c(n1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O | | CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2nc[nH]c12 |
|
| Name: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol |
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