The details of FoldDB ID: fd1326 |
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3D model is for representation purpose only. To access the experimental 3D structure kindly go to the browse structure tab and look for PDB or CCDC id.
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Identification | |
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FoldDB ID | fd1326 |
Smiles | |
Inchi Key | KYNLJOTWKKEYQZ-CQJMVLFOSA-N |
Molecular weight | 528.69 |
Molecular formula | C26H48N4O7 |
Other Name Since there is no uniform representation for the non-natural peptides. This is the name as it is mentioned in the original article and/or the external database. | Boc-[(S)-Iva]4-OMe |
Note | |
Source | synthetic construct |
External ID | |||||
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Reaxys ID | 7731612 | ||||
CAS Number | 194727-37-2 |
Structural Information | |
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Structure reported | yes |
Method | NMR, X-ray |
NMR Solvent | CDCl3 |
CCDC Number (solvent) | 1250060(MeOH) |
Other information | |
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Foldamer type | α Peptide |
Structure Type | helical |
Calculated properties | |
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LogP | 2.37600 |
Rotatable Bonds | 19 |
H Bond Donor | 4 |
H Bond Acceptor | 11 |
Polar Surface Area (PSA) | 151.93000 |
Activity |
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Activity not reported |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
Studies on the Conformation of Boc-Protected (S)-(+)-Isovaline Homopeptide Methyl Esters in the Solid State and in Solution | 1997 | Jaun, Bernhard., Tanaka, Masakazu., Seiler, Paul., Kühnle, Florian N. M., Braun, Christine., Seebach, Dieter | Liebigs Ann.lRecuei |