HQZ
Summary
| Name: | trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-) |
| Formula: | C3 H11 B N O5 S |
| Formal charge: | -1 |
| Formula weight: | 183.999 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-) |
| OpenEye OEToolkits | 1.9.2 | [(1S)-1-(methylsulfonylamino)ethyl]-tris(oxidanyl)boranuide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC([B-](O)(O)O)C)C |
| InChI | InChI | 1.03 | InChI=1S/C3H11BNO5S/c1-3(4(6,7)8)5-11(2,9)10/h3,5-8H,1-2H3/q-1/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | ZTYRBLZCLIYDCR-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N[S](C)(=O)=O)[B-](O)(O)O |
| SMILES | CACTVS | 3.385 | C[CH](N[S](C)(=O)=O)[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | [B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | [B-](C(C)NS(=O)(=O)C)(O)(O)O |
