| PDB CCD ID: | HQ6 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C9 H18 N2 O5 |
| InChI: | InChI=1S/C9H18N2O5/c1-4(13)11-7-6(14)2-10-5(3-12)8(15)9(7)16/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)/t5-,6-,7+,8-,9-/m1/s1 |
| InChIKey: | RJAFVDFBXXHCRJ-SYHAXYEDSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 10.04 | O=C(NC1C(O)C(O)C(NCC1O)CO)C | | OpenEye OEToolkits 1.6.1 | CC(=O)NC1C(CNC(C(C1O)O)CO)O | | OpenEye OEToolkits 1.6.1 | CC(=O)N[C@H]1[C@@H](CN[C@@H]([C@H]([C@@H]1O)O)CO)O | | CACTVS 3.352 | CC(=O)N[CH]1[CH](O)CN[CH](CO)[CH](O)[CH]1O | | CACTVS 3.352 | CC(=O)N[C@H]1[C@H](O)CN[C@H](CO)[C@@H](O)[C@@H]1O |
|
| Name: | N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide |
| ChEMBL: | CHEMBL541702 |
| ZINC: | ZINC000059124821 |
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