| PDB CCD ID: | XBG |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C8 H13 N O2 |
| InChI: | InChI=1S/C8H13NO2/c10-8(11)7-4-5-2-1-3-6(5)9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1 |
| InChIKey: | OQHKEWIEKYQINX-ACZMJKKPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | OC(=O)[C@@H]1C[C@@H]2CCC[C@@H]2N1 | | OpenEye OEToolkits 1.6.1 | C1C[C@H]2C[C@H](N[C@H]2C1)C(=O)O | | ACDLabs 10.04 | O=C(O)C1NC2CCCC2C1 | | OpenEye OEToolkits 1.6.1 | C1CC2CC(NC2C1)C(=O)O | | CACTVS 3.352 | OC(=O)[CH]1C[CH]2CCC[CH]2N1 |
|
| Name: | (2S,3AS,6AS)-OCTAHYDROCYCLOPENTA[B]PYRROLE-2-CARBOXYLIC-ACID |
| ZINC: | ZINC000002540010 |
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