3D model is for representation purpose only.
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FCYWKTC | triazole | 3,5-bis(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester |
Identification | |
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ConjuPepDB ID | cpd00907 |
Smiles | |
Inchi Key | InChIKey=KSPHFVWAVSLZJU-IVJJAWHTSA-N |
Molecular weight | 2773.13 |
Molecular formula | C133H172N26O30S5 |
Chemical name | Peptide information |
Sequence (one letter) | FCYWKTC |
Length | 7 |
Peptide name | [Tyr3]Octreotide, dimer |
External ID | |
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CAS number | 1227069-46-6 |
Other information | |
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Application | Anticancer therapy, AR42J cells |
Conjugate type | amide |
Linker | N/A |
Linker Type | triazole |
Small molecule | 3,5-bis(2-propyn-1-yloxy)-, S-[(2,4,6-trimethoxyphenyl)methyl] benzenecarbothioic acid ester |
Small molecule CAS | 1227069-44-4 |
Small molecule structure | |
Structure method | 1H- and 13C-NMR |
NMR solvent | CDCl3 |
Calculated properties | |
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LogP | 0.61001 |
Rotatable bonds | 61 |
H bond donor | 28 |
H bond acceptor | 36 |
Polar surface area (PSA) | 835.70000 |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
Synthesis of DOTA-Conjugated Multimeric [Tyr3]Octreotide Peptides via a Combination of Cu(I)-Catalyzed "Click"" Cycloaddition and Thio Acid/Sulfonyl Azide ""Sulfo-Click"" Amidation and Their in Vivo Evaluation" | 2010 | Yim, Cheng-Bin; Dijkgraaf, Ingrid; Merkx, Remco; Versluis, Cees; Eek, Annemarie; Mulder, Gwenn E.; Rijkers, Dirk T. S.; Boerman, Otto C.; Liskamp, Rob M. J. | Journal of Medicinal Chemistry |