71I
Summary
| 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 |
| Synonyms: | Butylaminothiazoline |
| Formula: | C11 H20 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 276.353 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (3aR,5R,6S,7R,7aR)-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | KFNMCGAJIQGULW-VVULQXIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCNC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2S1 |
| SMILES | CACTVS | 3.385 | CCCCNC1=N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCNC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCNC1=NC2C(C(C(OC2S1)CO)O)O |
