3D model is for representation purpose only.
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WR | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
Identification | |
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ConjuPepDB ID | cpd01318 |
Smiles | |
Inchi Key | InChIKey=ZTEFIMBSBJXAFZ-UHFFFAOYSA-N |
Molecular weight | 1347.7 |
Molecular formula | C68H97N15O10S2 |
Chemical name | Peptide information |
Sequence (one letter) | WR |
Length | 2 |
Peptide name | dipeptide |
External ID | |
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CAS number | 862124-45-6 |
Other information | |
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Application | Antibiotic, antiparasitic (trypanosomas) |
Pharmacological class | antimicrobial, antiprotozoal |
Conjugate type | sulfonamide |
Linker | no |
Small molecule | 3,4-dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonic acid |
Small molecule CAS | 745073-71-6 |
Structure method | 1H and 13C NMR, RP-HPLC, MS |
NMR solvent | CD3OD |
Calculated properties | |
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LogP | 5.48594 |
Rotatable bonds | 28 |
H bond donor | 15 |
H bond acceptor | 17 |
Polar surface area (PSA) | 394.61000 |
Citations | |||||
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ID | Title | Year | Authors | Journal | DOI |
Mechanism and structure-activity relationships of norspermidine-based peptidic inhibitors of trypanothione reductase | 2005 | Dixon, Mark J.; Maurer, Richard I.; Biggi, Cristina; Oyarzabal, Julen; Essex, Jonathan W.; Bradley, Mark | Bioorganic & Medicinal Chemistry |