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Home Other Building Blocks 211990-57-7
211990-57-7,MFCD02094703
Catalog No.:AA00BBJK

211990-57-7 | AC-IETD-AFC

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
in stock  
$236.00   $165.00
- +
25mg
in stock  
$683.00   $478.00
- +
  • Technical Information
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00BBJK
Chemical Name:
AC-IETD-AFC
CAS Number:
211990-57-7
Molecular Formula:
C31H38F3N5O12
Molecular Weight:
729.6549
MDL Number:
MFCD02094703
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)CC(=O)O)[C@H](O)C)CCC(=O)O)NC(=O)C)C
Properties
Computed Properties
 
Complexity:
1390  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
8  
Rotatable Bond Count:
17  
XLogP3:
-0.2  

Literature

Title: Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach.

Journal: Journal of medicinal chemistry 20050310

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SDS
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Tags:211990-57-7 Molecular Formula|211990-57-7 MDL|211990-57-7 SMILES|211990-57-7 AC-IETD-AFC