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| Ligand ID | 71I |
| InChI | InChI=1S/C11H20N2O4S/c1-2-3-4-12-11-13-7-9(16)8(15)6(5-14)17-10(7)18-11/h6-10,14-16H,2-5H2,1H3,(H,12,13)/t6-,7-,8-,9-,10-/m1/s1 |
| InChIKey | KFNMCGAJIQGULW-VVULQXIFSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | | OpenEye OEToolkits 1.7.6 | CCCCNC1=NC2C(C(C(OC2S1)CO)O)O | | OpenEye OEToolkits 1.7.6 | CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O | | CACTVS 3.385 | CCCCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1 |
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| Formula | C11 H20 N2 O4 S |
| Name | (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol;
Butylaminothiazoline |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000117472304
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| PDB chain | 5fl0 Chain B Residue 1719
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