A1H0B
Summary
| Name: | (2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid |
| Formula: | C8 H16 B N O4 |
| Formal charge: | 0 |
| Formula weight: | 201.028 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1 |
| InChIKey | InChI | 1.06 | AMHQFAXDSRWEOU-RQJHMYQMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | OB(O)CCC[CH]1CCN[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(CCCC1CCNC1C(=O)O)(O)O |
