PDB CCD ID: | RJ7 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C10 H12 F N O3 |
InChI: | InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9-/m0/s1 |
InChIKey: | WQTYAHVCEJEKSU-IUCAKERBSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | CCOC(=O)C(C(c1cccnc1)O)F | CACTVS 3.385 | CCOC(=O)[C@@H](F)[C@@H](O)c1cccnc1 | CACTVS 3.385 | CCOC(=O)[CH](F)[CH](O)c1cccnc1 | ACDLabs 12.01 | c1(cnccc1)C(C(C(OCC)=O)F)O | OpenEye OEToolkits 2.0.6 | CCOC(=O)[C@H]([C@H](c1cccnc1)O)F |
|
Name: | ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate |