| PDB CCD ID: | OW0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H21 N O4 |
| InChI: | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1 |
| InChIKey: | STECJAGHUSJQJN-FWXGHANASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1[CH]2C[CH](C[CH]1[CH]3O[CH]23)OC(=O)[CH](CO)c4ccccc4 | | OpenEye OEToolkits 2.0.7 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)c4ccccc4 | | CACTVS 3.385 | CN1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4 | | ACDLabs 12.01 | OCC(c1ccccc1)C(=O)OC1CC2N(C)C(C1)C1OC21 | | OpenEye OEToolkits 2.0.7 | CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4 |
|
| Name: | (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate |
| ChEMBL: | CHEMBL569713 |
| DrugBank: | DB00747 |
| ZINC: | ZINC000100037020 |
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