(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Modify Date: 2024-01-08 08:28:33

(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide Structure
(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide structure
Common Name (1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CAS Number 1208245-90-2 Molecular Weight 709.98000
Density N/A Boiling Point N/A
Molecular Formula C36H63N5O7S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

 Chemical & Physical Properties

Molecular Formula C36H63N5O7S
Molecular Weight 709.98000
Exact Mass 709.44500
PSA 192.86000
LogP 6.70860

 Synthetic Route

~%

(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-2-hydroxy-1-oxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide Structure

(1R,2S,5S)-3-[(...

CAS#:1208245-90-2

Literature: Arasappan, Ashok; Bennett, Frank; Bogen, Stephane L.; Venkatraman, Srikanth; Blackman, Melissa; Chen, Kevin X.; Hendrata, Siska; Huang, Yuhua; Huelgas, Regina M.; Nair, Latha; Padilla, Angela I.; Pan, Weidong; Pike, Russell; Pinto, Patrick; Ruan, Sumei; Sannigrahi, Mousumi; Velazquez, Francisco; Vibulbhan, Bancha; Wu, Wanli; Yang, Weiying; Saksena, Anil K.; Girijavallabhan, Viyyoor; Shih, Neng-Yang; Kong, Jianshe; Meng, Tao; Jin, Yan; Wong, Jesse; McNamkra, Paul; Prongay, Andrew; Madison, Vincent; Piwinski, John J.; Cheng, Kuo-Chi; Morrison, Richard; Malcolm, Bruce; Tong, Xiao; Ralston, Robert; Njoroge, F. George ACS Medicinal Chemistry Letters, 2010 , vol. 1, # 2 p. 64 - 69
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