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Chemical structure of Bradykinin potentiator B

GC68801

Bradykinin potentiator B

Also known as 1-[1-[2-[[6-amino-2-[[1-[5-(diaminomethylideneamino)-2-[[1-[1-[4-methyl-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Bradykinin potentiator B is a venom from Agkistrodon halys blomhoffi· It is an effective ACE inhibitor and inhibits the activity of kininase II

ChemicalCAS30892-86-5MW1182.41FormulaC56H91N15O13
CAS number
30892-86-5
Molecular weight
1182.41
Formula
C56H91N15O13
Solubility
H2O : 100 mg/mL (84·57 mM; ultrasonic and warming and heat to 60°C)
InChIKey
JXGBFZMUUPNIBD-UHFFFAOYSA-N
Catalogue number
GC68801
Brand
GLPBIO
Computed properties PubChem CID 3084520 · XLogP -3.3 · TPSA 404 Ų · H-bond donors 10
XLogP
-3.3
TPSA
404 Ų
H-bond donors
10
H-bond acceptors
15
Rotatable bonds
28
Heavy atoms
84

SMILES CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(CCCCN)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CC(C)C)NC(=O)CNC(=O)C6CCC(=O)N6

Computed descriptors from PubChem (CID 3084520), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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