3D model is for representation purpose only.
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XAFGX | Nerol |
Identification | |
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ConjuPepDB ID | cpd00698 |
Smiles | |
Inchi Key | InChIKey=AZFQNNYWTOULBB-IWXPXJIQSA-N |
Molecular weight | 563.3 |
Molecular formula | C32H41N3O6 |
Chemical name | Peptide information |
Sequence (one letter) | XAFGX |
Length | 5 |
Peptide name | tetrapeptide |
External ID | |
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CAS number | 1384583-96-3 |
Other information | |
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Application | Synthesis |
Additional function | Potential applications in cell growth regulation, immune responses, intercellular targeting in cancer, and inflammation |
Conjugate type | ester |
Linker | no |
Small molecule | Nerol |
Small molecule CAS | 106-25-2 |
Small molecule structure | |
Structure method | 1H- and 13C-NMR |
NMR solvent | CDCl3, (CD3)CO or DMSO-d6 |
Calculated properties | |
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LogP | 4.76528 |
Rotatable bonds | 17 |
H bond donor | 3 |
H bond acceptor | 4 |
Polar surface area (PSA) | 122.83000 |
Citations | |||||
---|---|---|---|---|---|
ID | Title | Year | Authors | Journal | DOI |
Syntheses of chiral N-(protected) tri- and tetrapeptide conjugates | 2012 | Bajaj, Kiran; Panda, Siva S.; El-Nachef, Claudia; Katritzky, Alan R. | Chemical Biology & Drug Design |