| PDB CCD ID: | F8D |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H14 Cl N O3 |
| InChI: | InChI=1S/C13H14ClNO3/c1-7(17)15-5-8(6-16)13-12(15)10-4-9(14)2-3-11(10)18-13/h2-4,8,12-13,16H,5-6H2,1H3/t8-,12-,13-/m0/s1 |
| InChIKey: | MATFGXSXXCCYSM-HJIKLVIJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(=O)N1CC(C2C1c3cc(ccc3O2)Cl)CO | | CACTVS 3.385 | CC(=O)N1C[CH](CO)[CH]2Oc3ccc(Cl)cc3[CH]12 | | CACTVS 3.385 | CC(=O)N1C[C@@H](CO)[C@@H]2Oc3ccc(Cl)cc3[C@H]12 | | ACDLabs 12.01 | c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO | | OpenEye OEToolkits 2.0.6 | CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2)Cl)CO |
|
| Name: | 1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one |
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