| PDB CCD ID: | WFC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H12 Cl N O3 |
| InChI: | InChI=1S/C13H12ClNO3/c14-9-3-1-7(2-4-9)12-10-5-8(13(16)17)6-11(10)18-15-12/h1-4,8,10-11H,5-6H2,(H,16,17)/t8-,10-,11+/m1/s1 |
| InChIKey: | QOXMGHPENGRQFZ-IEBDPFPHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(ccc1C2=NO[C@@H]3[C@H]2C[C@H](C3)C(=O)O)Cl | | CACTVS 3.385 | OC(=O)[C@H]1C[C@@H]2ON=C([C@@H]2C1)c3ccc(Cl)cc3 | | CACTVS 3.385 | OC(=O)[CH]1C[CH]2ON=C([CH]2C1)c3ccc(Cl)cc3 | | ACDLabs 12.01 | O=C(O)C1CC2C(C1)ON=C2c1ccc(Cl)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C2=NOC3C2CC(C3)C(=O)O)Cl |
|
| Name: | (3aS,5R,6aS)-3-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-5-carboxylic acid |
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