| PDB CCD ID: | JO7 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C10 H19 N O4 S |
| InChI: | InChI=1S/C10H19NO4S/c1-15-10-6-11(16(2,13)14)7-3-4-9(12)8(10)5-7/h7-10,12H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1 |
| InChIKey: | JFMNJHCRCCEEHH-KYXWUPHJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | COC1CN(C2CCC(C1C2)O)S(=O)(=O)C | | ACDLabs 12.01 | COC1CN(C2CCC(O)C1C2)S(=O)(C)=O | | OpenEye OEToolkits 2.0.6 | CO[C@H]1CN([C@@H]2CC[C@H]([C@H]1C2)O)S(=O)(=O)C | | CACTVS 3.385 | CO[CH]1CN([CH]2CC[CH](O)[CH]1C2)[S](C)(=O)=O | | CACTVS 3.385 | CO[C@H]1CN([C@@H]2CC[C@@H](O)[C@H]1C2)[S](C)(=O)=O |
|
| Name: | (1R,4R,5R,6R)-4-methoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonan-6-ol |
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