3D model is for representation purpose only.
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XAYAX | triazole | Mestranol |
Identification | |
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ConjuPepDB ID | cpd00678 |
Smiles | |
Inchi Key | InChIKey=XGSPVQIYXWYZJP-XPULBOKHSA-N |
Molecular weight | 772.452 |
Molecular formula | C43H60N6O7 |
Chemical name | Peptide information |
Sequence (one letter) | XAYAX |
Length | 5 |
Peptide name | oligopeptide |
External ID | |
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CAS number | 1412911-25-1 |
Other information | |
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Application | Synthesis |
Additional function | Convenient method for decoration of biologically active molecules with peptide residues |
Conjugate type | amide |
Linker | N/A |
Linker Type | triazole |
Small molecule | Mestranol |
Small molecule CAS | 72-33-3 |
Small molecule structure | |
Structure method | 1H- and 13C-NMR |
NMR solvent | CDCl3 |
Calculated properties | |
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LogP | 5.81779 |
Rotatable bonds | 14 |
H bond donor | 3 |
H bond acceptor | 8 |
Polar surface area (PSA) | 157.14000 |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
Synthesis of peptide conjugates of mestranol by a 1,3-dipolar cycloaddition click reaction | 2012 | Sokolova, N. V.; Nenajdenko, V. G. | Chemistry of Heterocyclic Compounds |