3D model is for representation purpose only.
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VXGSWSXXFQVIA | PEG | Vancomycin |
Identification | |
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ConjuPepDB ID | cpd00240 |
Smiles | |
Inchi Key | InChIKey=BHSHPXOXIRVMKD-QRMJFVLQSA-N |
Molecular weight | 3204.43 |
Molecular formula | C149H207Cl2N31O44 |
Chemical name | Peptide information |
Sequence (one letter) | VXGSWSXXFQVIA |
Length | 13 |
Peptide name | tridecaptin A1 |
External ID | |
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CAS number | 1832593-73-3 |
Other information | |
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Application | Antimicrobial, antibacterial, Gram-negative Klebsiella) |
Additional function | Increased efficacy |
Pharmacological class | antimicrobial, antibacterial |
Conjugate type | amide |
Linker | N/A |
Linker Type | PEG |
Small molecule | Vancomycin |
Small molecule CAS | 66863-43-2 |
Small molecule structure | |
Structure method | 1H- anf 13C-NMR |
NMR solvent | CDCl3 |
Calculated properties | |
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LogP | -10.95885 |
Rotatable bonds | 78 |
H bond donor | 40 |
H bond acceptor | 49 |
Polar surface area (PSA) | 1159.70000 |
Citations | |||||
---|---|---|---|---|---|
ID | Title | Year | Authors | Journal | DOI |
Synthesis of Tridecaptin-Antibiotic Conjugates with in Vivo Activity against Gram-Negative Bacteria | 2015 | Cochrane, Stephen A.; Li, Xuefeng; He, Sisi; Yu, Min; Wu, Min; Vederas, John C. | Journal of Medicinal Chemistry |