ChemSpider 2D Image | 1-[(2S)-5-{[Amino(iminio)methyl]amino}-2-ammoniopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide | C44H62N11O10

1-[(2S)-5-{[Amino(iminio)methyl]amino}-2-ammoniopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide

  • Molecular FormulaC44H62N11O10
  • Average mass905.030 Da
  • Monoisotopic mass904.467590 Da
  • ChemSpider ID58163598

  • Charge - Charge

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-[(2S)-5-{[Amino(iminio)methyl]amino}-2-ammoniopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamid [German] [ACD/IUPAC Name]
1-[(2S)-5-{[Amino(iminio)methyl]amino}-2-ammoniopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide [ACD/IUPAC Name]
1-[(2S)-5-{[Amino(iminio)méthyl]amino}-2-ammoniopentanoyl]-L-prolyl-L-prolylglycyl-L-phénylalanyl-L-séryl-N-[(1S)-1-carboxylato-2-phényléthyl]-L-prolinamide [French] [ACD/IUPAC Name]
L-Phenylalanine, L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-, inner salt, conjugate acid [ACD/Index Name]
[des-Arg(9)]-bradykinin(1+)
1-[(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide
Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe(1+)
bradykinin(1-8)
Bradykinin, des-arg(9)
L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe(1+)
More...
  • Miscellaneous

    • Chemical Class:

      A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of [des-Arg(9)]-bradykinin; major species at pH 7.3. ChEBI CHEBI:133069
      A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of [des-Arg9]-bradykinin; major species at pH 7.3. ChEBI CHEBI:133069

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 21
#H bond donors: 12
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 0.14
ACD/LogD (pH 5.5): -4.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 329 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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