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]
L-Arginine, L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl- [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]
L-Arginyl-L-prolyl-L-prolylglycyl-L-phénylalanyl-L-séryl-L-prolyl-L-phénylalanyl-L-arginine [French] [ACD/IUPAC Name]
N5-(diaminomethylidene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-N5-(diaminomethylidene)-L-ornithine
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-(2-{[(2S)-1-{[(2S)-1-[(2S)-2-amino-5-[(diaminomethylidene)amino]pentanoyl]pyrrolidin-2-yl]carbonyl}pyrrolidin-2-yl]formamido}acetamido)-3-phenylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-5-[(diaminomethylidene)amino]pentanoic acid
(BK) H-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg-OH
(bradykinin triacetate)2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionylamino)-5-guanidino-pentanoic acid
2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propionylamino)-5-guanidino-pentanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRS 640 [DBID]
C00306 [DBID]
PRS 640 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
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: -0.82
ACD/LogD (pH 5.5): -6.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 414 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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