| PDB CCD ID: | JMY |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H14 F N O3 |
| InChI: | InChI=1S/C13H14FNO3/c1-7(17)15-5-8(6-16)12-11(15)9-3-2-4-10(14)13(9)18-12/h2-4,8,11-12,16H,5-6H2,1H3/t8-,11-,12-/m0/s1 |
| InChIKey: | QAMAJYLGSCIONW-UWJYBYFXSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)N1C[C@@H](CO)[C@@H]2Oc3c(F)cccc3[C@H]12 | | OpenEye OEToolkits 2.0.6 | CC(=O)N1CC(C2C1c3cccc(c3O2)F)CO | | OpenEye OEToolkits 2.0.6 | CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cccc(c3O2)F)CO | | CACTVS 3.385 | CC(=O)N1C[CH](CO)[CH]2Oc3c(F)cccc3[CH]12 | | ACDLabs 12.01 | c1cc(c2c(c1)C3N(C(C)=O)CC(C3O2)CO)F |
|
| Name: | 1-[(3S,3aS,8bS)-5-fluoro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one |
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