EO9
Summary
| Name: | [(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron |
| Formula: | C9 H11 B F2 N O4 |
| Formal charge: | -1 |
| Formula weight: | 245.996 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | [(1S)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H](NC(=O)c1c(F)cccc1F)[B-](O)(O)O |
| SMILES | CACTVS | 3.352 | C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [B-]([C@@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | [B-](C(C)NC(=O)c1c(cccc1F)F)(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | QINJDAAOPMYOAS-RXMQYKEDSA-N |
