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Home Other Building Blocks 1885873-44-8
1885873-44-8,MFCD31382541
Catalog No.:AA01ENGK

1885873-44-8 | ELA-14 negative control

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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA01ENGK
Chemical Name:
ELA-14 negative control
CAS Number:
1885873-44-8
Molecular Formula:
C72H112N22O17S2
Molecular Weight:
1621.9269
MDL Number:
MFCD31382541
SMILES:
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccccc1)C(C)C)C)CO)Cc1nc[nH]c1)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC(=O)N1)CCCNC(=N)N)CCCNC(=N)N)CS
Properties
Computed Properties
 
Complexity:
3380  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Heavy Atom Count:
113  
Hydrogen Bond Acceptor Count:
22  
Hydrogen Bond Donor Count:
19  
Rotatable Bond Count:
44  
XLogP3:
-2.4  

Literature

Title: Murza A, et, al. Discovery and Structure-Activity Relationship of a Bioactive Fragment of ELABELA that Modulates Vascular and Cardiac Functions. J Med Chem. 2016 Apr 14;59(7):2962-72.

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Tags:1885873-44-8 Molecular Formula|1885873-44-8 MDL|1885873-44-8 SMILES|1885873-44-8 ELA-14 negative control