8X9
Summary
| Name: | 2-[(1R,5S,6S)-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid |
| Synonyms: | Mirogabalin |
| Formula: | C12 H19 N O2 |
| Formal charge: | 0 |
| Formula weight: | 209.285 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(1~{R},5~{S},6~{S})-6-(aminomethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO2/c1-2-8-3-9-5-12(7-13,6-11(14)15)10(9)4-8/h4,9-10H,2-3,5-7,13H2,1H3,(H,14,15)/t9-,10-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | FTBQORVNHOIASH-CKYFFXLPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=C[C@@H]2[C@H](C1)C[C@]2(CN)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCC1=C[CH]2[CH](C1)C[C]2(CN)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)O)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC1=CC2C(C1)CC2(CC(=O)O)CN |
