FB5
Summary
| Name: | 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine |
| Formula: | C7 H14 B F2 N O4 |
| Formal charge: | 0 |
| Formula weight: | 224.998 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-2-[bis(fluoranyl)methyl]-6-(dihydroxyboranyl)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | FC(F)C(N)(C(=O)O)CCCCB(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14BF2NO4/c9-5(10)7(11,6(12)13)3-1-2-4-8(14)15/h5,14-15H,1-4,11H2,(H,12,13)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | QIYCLWKKKPVZJC-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@](CCCCB(O)O)(C(F)F)C(O)=O |
| SMILES | CACTVS | 3.370 | N[C](CCCCB(O)O)(C(F)F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | B(CCCC[C@@](C(F)F)(C(=O)O)N)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | B(CCCCC(C(F)F)(C(=O)O)N)(O)O |
