| PDB CCD ID: | A1BDG |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H17 N O3 S |
| InChI: | InChI=1S/C8H17NO3S/c1-7-4-3-5-8(6-10)9(7)13(2,11)12/h7-8,10H,3-6H2,1-2H3 |
| InChIKey: | PVAZEUFSKWVBRB-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH]1CCC[CH](CO)N1[S](C)(=O)=O | | ACDLabs 14.52 | O=S(C)(=O)N1C(C)CCCC1CO | | CACTVS 3.385 | C[C@H]1CCC[C@@H](CO)N1[S](C)(=O)=O | | OpenEye OEToolkits 3.1.0.0 | C[C@H]1CCC[C@H](N1S(=O)(=O)C)CO | | OpenEye OEToolkits 3.1.0.0 | CC1CCCC(N1S(=O)(=O)C)CO |
|
| Name: | [(2S,6R)-1-(methanesulfonyl)-6-methylpiperidin-2-yl]methanol |
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