GK2
Summary
| Name: | [(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid |
| Formula: | C9 H19 B N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.07 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [(2~{R})-1-[(2~{R})-2-azanyl-3-methyl-butanoyl]pyrrolidin-2-yl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8+/m0/s1 |
| InChIKey | InChI | 1.03 | FKCMADOPPWWGNZ-JGVFFNPUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O |
| SMILES | CACTVS | 3.385 | CC(C)[CH](N)C(=O)N1CCC[CH]1B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B([C@@H]1CCCN1C(=O)[C@@H](C(C)C)N)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(C1CCCN1C(=O)C(C(C)C)N)(O)O |
