B2A
Summary
| Name: | ALANINE BORONIC ACID |
| Formula: | C2 H8 B N O2 |
| Formal charge: | 0 |
| Formula weight: | 88.901 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-aminoethyl]boronic acid |
| OpenEye OEToolkits | 1.7.0 | [(1R)-1-azanylethyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB(O)C(N)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](N)B(O)O |
| SMILES | CACTVS | 3.370 | C[CH](N)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B([C@H](C)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(C(C)N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C2H8BNO2/c1-2(4)3(5)6/h2,5-6H,4H2,1H3/t2-/m0/s1 |
| InChIKey | InChI | 1.03 | MEJXSZPJYPOEIL-REOHCLBHSA-N |
