Chemical structure of CAS 3049680-91-0

[4-[[(2S)-6-amino-2-[[(2S)-3-methyl-2-[6-[4-(2-methylsulfonylpyrimidin-5-yl)triazol-1-yl]hexanoylamino]butanoyl]amino]hexanoyl]amino]phenyl]methyl [(3R,5S)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] carbonate

CAS No.3049680-91-0
MDL No.N/A
MFC109H139ClF3N19O17S5
MW2240.20
InChI KeyACPDZXNJSKMMDQ-JBUZQTGBSA-N
CUSTOM SYNTHESIS

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Product Information

CAS No.3049680-91-0
Product Name[4-[[(2S)-6-amino-2-[[(2S)-3-methyl-2-[6-[4-(2-methylsulfonylpyrimidin-5-yl)triazol-1-yl]hexanoylamino]butanoyl]amino]hexanoyl]amino]phenyl]methyl [(3R,5S)-1-[(2S)-2-[[7-[4-[(3R)-3-[4-[[4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]benzoyl]sulfamoyl]-2-(trifluoromethylsulfonyl)anilino]-4-phenylsulfanylbutyl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl] carbonate
Heavy Atom Count154Rotatable Bond Count49
Atom Stereo Count7Bond Stereo Count0
HBA30HBD8
TPSA470.320 ŲCharge0
Exact Mass2237.88405Complexity6715.39
pKa7.130XLogP15.165