| PDB CCD ID: | Z8V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H18 N2 O5 |
| InChI: | InChI=1S/C9H18N2O5/c1-4(14)10-7-5(2-12)11-6(3-13)8(15)9(7)16/h5-9,11-13,15-16H,2-3H2,1H3,(H,10,14)/t5-,6+,7-,8+,9+/m0/s1 |
| InChIKey: | GYKHMAHAJKZLAT-KVEIKIFDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=O)NC1C(NC(C(C1O)O)CO)CO | | CACTVS 3.385 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1CO | | ACDLabs 12.01 | OC1C(O)C(NC(C)=O)C(CO)NC1CO | | CACTVS 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N[C@H]1CO | | OpenEye OEToolkits 2.0.7 | CC(=O)N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO |
|
| Name: | N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide |
zhanggroup.org