B2F
Summary
| Name: | PHENYLALANINE BORONIC ACID |
| Formula: | C8 H12 B N O2 |
| Formal charge: | 0 |
| Formula weight: | 164.997 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-1-amino-2-phenylethyl]boronic acid |
| OpenEye OEToolkits | 1.7.0 | [(1R)-1-azanyl-2-phenyl-ethyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB(O)C(N)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)B(O)O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B([C@H](Cc1ccccc1)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(C(Cc1ccccc1)N)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | OAZCLPVPUZOYGA-QMMMGPOBSA-N |
