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380620-88-2,MFCD03791318
Catalog No.:AA00C093

380620-88-2 | [(PF)PHE4]NOCICEPTIN(1-13)NH2

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  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00C093
Chemical Name:
[(PF)PHE4]NOCICEPTIN(1-13)NH2
CAS Number:
380620-88-2
Molecular Formula:
C61H99FN22O15
Molecular Weight:
1399.5756
MDL Number:
MFCD03791318
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)CCCNC(=N)N)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccc(cc1)F)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C)CCCNC(=N)N
Properties
Computed Properties
 
Complexity:
2700  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
99  
Hydrogen Bond Acceptor Count:
21  
Hydrogen Bond Donor Count:
22  
Rotatable Bond Count:
47  
XLogP3:
-6.9  

Literature

Title: Structure-activity studies of the Phe(4) residue of nociceptin(1-13)-NH(2): identification of highly potent agonists of the nociceptin/orphanin FQ receptor.

Journal: Journal of medicinal chemistry 20011108

Title: Rizzi A, et al. Pharmacological characterisation of [(pX)Phe4nociceptin(1-13)NH2 analogues. 2. In vivo studies. Naunyn Schmiedebergs Arch Pharmacol. 2002;365(6):450-456.

Title: Bigoni R, et al. Pharmacological characterisation of [(pX)Phe4nociceptin(1-13)amide analogues. 1. In vitro studies. Naunyn Schmiedebergs Arch Pharmacol. 2002;365(6):442-449.

Title: Guerrini R, et al. Structure-activity studies of the Phe(4) residue of nociceptin(1-13)-NH(2): identification of highly potent agonists of the nociceptin/orphanin FQ receptor. J Med Chem. 2001;44(23):3956-3964.

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Tags:380620-88-2 Molecular Formula|380620-88-2 MDL|380620-88-2 SMILES|380620-88-2 [(PF)PHE4]NOCICEPTIN(1-13)NH2