| PDB CCD ID: | JOG |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H20 N2 O3 |
| InChI: | InChI=1S/C15H20N2O3/c18-13-7-6-11-8-12(13)14(19)9-17(11)15(20)16-10-4-2-1-3-5-10/h1-5,11-14,18-19H,6-9H2,(H,16,20)/t11-,12-,13+,14+/m1/s1 |
| InChIKey: | JCBMUSSCLKFNPY-MQYQWHSLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc(cc1)NC(=O)N2CC(C3CC2CCC3O)O | | CACTVS 3.385 | O[C@H]1CC[C@@H]2C[C@H]1[C@@H](O)CN2C(=O)Nc3ccccc3 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)NC(=O)N2C[C@@H]([C@@H]3C[C@H]2CC[C@@H]3O)O | | ACDLabs 12.01 | C2N(C1CCC(O)C(C1)C2O)C(=O)Nc3ccccc3 | | CACTVS 3.385 | O[CH]1CC[CH]2C[CH]1[CH](O)CN2C(=O)Nc3ccccc3 |
|
| Name: | (1R,4R,5R,6S)-4,6-dihydroxy-N-phenyl-2-azabicyclo[3.3.1]nonane-2-carboxamide |
umich.edu