ChemSpider 2D Image | Bradykinin | C50H73N15O11

Bradykinin

  • Molecular FormulaC50H73N15O11
  • Average mass1060.208 Da
  • Monoisotopic mass1059.561401 Da
  • ChemSpider ID388341
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Bradykinin [Wiki]
(Z)-N2-[(2S)-2-{(E)-[{(2S)-1-[(E)-N-{(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-(L-Arginyl-L-prolyl)-2-pyrrolidinyl](hydroxy)methylen}amino]-1-hydroxyethyliden}amino]-1-hydroxy-3-phenylpropyliden}-L-seryl]-2-pyrr olidinyl}(hydroxy)methylen]amino}-1-hydroxy-3-phenylpropyliden]-L-arginin [German] [ACD/IUPAC Name]
(Z)-N2-[(2S)-2-{(E)-[{(2S)-1-[(E)-N-{(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-(L-Arginyl-L-prolyl)-2-pyrrolidinyl](hydroxy)methylene}amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-phenylpropylidene}-L-seryl]-2-p yrrolidinyl}(hydroxy)methylene]amino}-1-hydroxy-3-phenylpropylidene]-L-arginine [ACD/IUPAC Name]
(Z)-N2-[(2S)-2-{(E)-[{(2S)-1-[(E)-N-{(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-(L-Arginyl-L-prolyl)-2-pyrrolidinyl](hydroxy)méthylène}amino]-1-hydroxyéthylidène}amino]-1-hydroxy-3-phénylpropylidène}-L-séryl]-2-p yrrolidinyl}(hydroxy)méthylène]amino}-1-hydroxy-3-phénylpropylidène]-L-arginine [French] [ACD/IUPAC Name]
200-398-8 [EINECS]
58-82-2 [RN]
L-Arginine, L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl- [ACD/Index Name]
L-Arginine, N2-[(2S)-2-[[(1E)-[(2S)-1-[(2S)-2-[[(1E,2S)-2-[[(1Z)-2-[[(1Z)-[(2S)-1-[[(2S)-1-[(2S)-2-amino-5-[(aminoiminomethyl)amino]-1-oxopentyl]-2-pyrrolidinyl]carbonyl]-2-pyrrolidinyl]hydroxymethy 
lene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]hydroxymethylene]amino]-1-hydroxy-3-phenylpropylidene]-, (Z)- [ACD/Index Name]
L-Arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginin [German] [ACD/IUPAC Name]
L-Arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine [ACD/IUPAC Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRS 640 [DBID]
C00306 [DBID]
PRS 640 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Chemical Class:

      A linear nonapeptide messenger belonging to the kinin group of proteins, with amino acid sequence RPPGFSPFR. Enzymatically produced from kallidin in the blood, it is a powerful vasodilator that causes smooth muscle contraction, and may mediate inflammation. ChEBI CHEBI:3165
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 3004
      Bradykinin Receptors Tocris Bioscience 3004
      Endogenous agonist at bradykinin receptors (B2 > B1) Tocris Bioscience 3004
      Endogenous bradykinin receptor agonist that displays selectivity for B2 over B1 receptors. Proinflammatory peptide. Tocris Bioscience 3004
      Peptide Receptors Tocris Bioscience 3004

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1269.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 198.9±3.0 kJ/mol
Flash Point: 721.8±37.1 °C
Index of Refraction: 1.693
Molar Refractivity: 272.4±0.5 cm3
#H bond acceptors: 26
#H bond donors: 17
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 431 Å2
Polarizability: 108.0±0.5 10-24cm3
Surface Tension: 69.4±7.0 dyne/cm
Molar Volume: 710.2±7.0 cm3

Click to predict properties on the Chemicalize site






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