The details of FoldDB ID: fd0946 |
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| Identification | |
|---|---|
| FoldDB ID | fd0946 |
| Smiles | |
| Inchi Key | BQZKEQUHRBUDAZ-VQJSHJPSSA-N |
| Molecular weight | 739.915 |
| Molecular formula | C41H53N7O6 |
| Source | synthetic construct |
| External ID | |||||
|---|---|---|---|---|---|
| Reaxys ID | 32689619 | ||||
| Structural Information | |
|---|---|
| Structure reported | yes |
| Method | NMR |
| NMR Solvent | d(4)-methanol |
| Other information | |
|---|---|
| Foldamer type | Aib foldamer |
| Other type | α-Methyl phenylglycines-Aib foldamer |
| Calculated properties | |
|---|---|
| LogP | 3.32300 |
| Rotatable Bonds | 18 |
| H Bond Donor | 6 |
| H Bond Acceptor | 13 |
| Polar Surface Area (PSA) | 177.84000 |
| Activity |
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| Activity not reported |
| Citations | |||||
|---|---|---|---|---|---|
| ID | Title | Year | Authors | Journal | DOI |
α-Methyl phenylglycines by asymmetric α-arylation of alanine and their effect on the conformational preference of helical Aib foldamers | 2018 | Costil R., Fernández-Nieto F., Atkinson R.C., Clayden J. | Organic and Biomolecular Chemistry | ||
