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 |