B2V
Summary
| Name: | VALINE BORONIC ACID |
| Formula: | C4 H12 B N O2 |
| Formal charge: | 0 |
| Formula weight: | 116.955 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-methylpropyl]boronic acid |
| OpenEye OEToolkits | 1.7.0 | [(1R)-1-azanyl-2-methyl-propyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB(O)C(N)C(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)[C@H](N)B(O)O |
| SMILES | CACTVS | 3.370 | CC(C)[CH](N)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B([C@H](C(C)C)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(C(C(C)C)N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | AIUDHUUVWREDAS-BYPYZUCNSA-N |
