ChemSpider 2D Image | 1-8-Bradykinin | C44H61N11O10

1-8-Bradykinin

  • Molecular FormulaC44H61N11O10
  • Average mass904.023 Da
  • Monoisotopic mass903.460266 Da
  • ChemSpider ID94778
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(des-arg9)-Bradykinin
[des-Arg(9)]-bradykinin
[Des-Arg9]-Bradykinin
15958-92-6 [RN]
1-8-Bradykinin
L-phenylalanine, N-[[(2S)-1-[(2S)-2-[[(1Z,2S)-2-[[(1E)-2-[[(1Z)-[(2S)-1-[[(2S)-1-[(2S)-2-amino-5-[(aminoiminomethyl)amino]-1-oxopentyl]-2-pyrrolidinyl]carbonyl]-2-pyrrolidinyl]hydroxymethylene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]hydroxymethylene]-, (Z)-
L-Phenylalanine, N5-(diaminomethylene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phénylalanyl-L-séryl-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
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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: 1.687
Molar Refractivity: 234.0±0.5 cm3
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -4.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 325 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 614.5±7.0 cm3

Click to predict properties on the Chemicalize site






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