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142580-65-2,MFCD28138930
Catalog No.:AA009E4E

142580-65-2 | (3S,4aS,8aS)-

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  • Technical Information
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Technical Information
Catalog Number:
AA009E4E
Chemical Name:
(3S,4aS,8aS)-
CAS Number:
142580-65-2
Molecular Formula:
C29H47N3O4
Molecular Weight:
501.7012
MDL Number:
MFCD28138930
SMILES:
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O
Properties
Computed Properties
 
Complexity:
723  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
10  
XLogP3:
5.1  

Literature

Title: 3-Tetrahydrofuran and pyran urethanes as high-affinity P2-ligands for HIV-1 protease inhibitors.

Journal: Journal of medicinal chemistry 19930122

Title: A series of potent HIV-1 protease inhibitors containing a hydroxyethyl secondary amine transition state isostere: synthesis, enzyme inhibition, and antiviral activity.

Journal: Journal of medicinal chemistry 19920710

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