| PDB CCD ID: | VND |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C11 H23 N O5 |
| InChI: | InChI=1S/C11H23NO5/c1-2-3-4-12-7-5-11(17,6-13)10(16)9(15)8(7)14/h7-10,12-17H,2-6H2,1H3/t7-,8-,9+,10-,11-/m0/s1 |
| InChIKey: | OSBGPDPUURWCPT-HHKYUTTNSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CCCCN[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O | | ACDLabs 12.01 | N(C1CC(C(C(C1O)O)O)(CO)O)CCCC | | OpenEye OEToolkits 2.0.7 | CCCCN[C@H]1C[C@@]([C@H]([C@@H]([C@H]1O)O)O)(CO)O | | OpenEye OEToolkits 2.0.7 | CCCCNC1CC(C(C(C1O)O)O)(CO)O | | CACTVS 3.385 | CCCCN[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O |
|
| Name: | (1S,2S,3R,4S,5S)-5-(butylamino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
| ChEMBL: | CHEMBL5190093 |
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