(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: 2025-08-24 21:25:43
![(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](https://image.chemsrc.com/caspic/027/1208245-90-2.png)
(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
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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 | ||
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| 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 | |
| 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 |
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| Molecular Formula | C36H63N5O7S |
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| Molecular Weight | 709.98000 |
| Exact Mass | 709.44500 |
| PSA | 192.86000 |
| LogP | 6.70860 |
| InChIKey | BZXRATSZUNDEEV-XUVLPORMSA-N |
| SMILES | CCCCC(NC(=O)C1C2C(CN1C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(O)C(=O)NC1CC1 |
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(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 |
![(1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylmethyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid structure](https://image.chemsrc.com/caspic/193/1229337-32-9.png)
| Precursor 2 | |
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| DownStream 1 | |
CAS#:865466-24-6