| PDB CCD ID: | JOA |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H21 N O4 S |
| InChI: | InChI=1S/C11H21NO4S/c1-15-10-5-4-8-6-9(10)11(16-2)7-12(8)17(3,13)14/h8-11H,4-7H2,1-3H3/t8-,9-,10-,11+/m1/s1 |
| InChIKey: | KAAQHBAJQWLEIG-DBIOUOCHSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CO[CH]1CC[CH]2C[CH]1[CH](CN2[S](C)(=O)=O)OC | | CACTVS 3.385 | CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2[S](C)(=O)=O)OC | | OpenEye OEToolkits 2.0.6 | COC1CCC2CC1C(CN2S(=O)(=O)C)OC | | OpenEye OEToolkits 2.0.6 | CO[C@@H]1CC[C@@H]2C[C@H]1[C@H](CN2S(=O)(=O)C)OC | | ACDLabs 12.01 | C1C(C2C(OC)CCC(N1S(C)(=O)=O)C2)OC |
|
| Name: | (1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane |
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