PDB CCD ID: | WD1 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H18 F N O2 |
InChI: | InChI=1S/C9H18FNO2/c10-8-3-1-2-7(4-8)5-11-6-9(12)13/h7-9,11-13H,1-6H2/t7-,8-/m0/s1 |
InChIKey: | AGMOOCMFAMSOEN-YUMQZZPRSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | OC(O)CNC[CH]1CCC[CH](F)C1 | CACTVS 3.385 | OC(O)CNC[C@H]1CCC[C@H](F)C1 | OpenEye OEToolkits 2.0.7 | C1C[C@@H](C[C@H](C1)F)CNCC(O)O | OpenEye OEToolkits 2.0.7 | C1CC(CC(C1)F)CNCC(O)O | ACDLabs 12.01 | OC(O)CNCC1CC(CCC1)F |
|
Name: | 2-({[(1S,3S)-3-fluorocyclohexyl]methyl}amino)ethane-1,1-diol |