BPR
Summary
| Name: | (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE |
| Formula: | C9 H17 B N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 212.054 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2R)-1-L-prolylpyrrolidin-2-yl]boronic acid |
| OpenEye OEToolkits | 1.5.0 | [(2R)-1-[(2S)-pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N1C(B(O)O)CCC1)C2NCCC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2 |
| SMILES | CACTVS | 3.341 | OB(O)[CH]1CCCN1C(=O)[CH]2CCCN2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(C1CCCN1C(=O)C2CCCN2)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17BN2O3/c13-9(7-3-1-5-11-7)12-6-2-4-8(12)10(14)15/h7-8,11,14-15H,1-6H2/t7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | XSBZZZGVAIXJLD-YUMQZZPRSA-N |
