E08
Summary
| Name: | TRIHYDROXY-[(1S)-1-[(2-PROPAN-2-YLPHENYL)CARBONYLAMINO]ETHYL]BORON |
| Formula: | C12 H19 B N O4 |
| Formal charge: | -1 |
| Formula weight: | 252.095 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | trihydroxy-[(1S)-1-[(2-propan-2-ylphenyl)carbonylamino]ethyl]boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(C)c1ccccc1C(=O)N[C@H](C)[B-](O)(O)O |
| SMILES | CACTVS | 3.352 | CC(C)c1ccccc1C(=O)N[CH](C)[B-](O)(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [B-]([C@@H](C)NC(=O)c1ccccc1C(C)C)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | [B-](C(C)NC(=O)c1ccccc1C(C)C)(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H19BNO4/c1-8(2)10-6-4-5-7-11(10)12(15)14-9(3)13(16,17)18/h4-9,16-18H,1-3H3,(H,14,15)/q-1/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | CJMFKPWAEYBDEM-SECBINFHSA-N |
