ChemSpider 2D Image | Kinetensin (human) | C56H85N17O11

Kinetensin (human)

  • Molecular FormulaC56H85N17O11
  • Average mass1172.381 Da
  • Monoisotopic mass1171.661499 Da
  • ChemSpider ID129668

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

103131-69-7 [RN]
Kinetensin (human)
L-Isoleucyl-L-alanyl-N5-(diaminomethylen)-L-ornithyl-N5-(diaminomethylen)-L-ornithyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucin [German] [ACD/IUPAC Name]
L-Isoleucyl-L-alanyl-N5-(diaminomethylene)-L-ornithyl-N5-(diaminomethylene)-L-ornithyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl-L-leucine [ACD/IUPAC Name]
L-Isoleucyl-L-alanyl-N5-(diaminométhylène)-L-ornithyl-N5-(diaminométhylène)-L-ornithyl-L-histidyl-L-prolyl-L-tyrosyl-L-phénylalanyl-L-leucine [French] [ACD/IUPAC Name]
L-Leucine, L-isoleucyl-L-alanyl-N5-(diaminomethylene)-L-ornithyl-N5-(diaminomethylene)-L-ornithyl-L-histidyl-L-prolyl-L-tyrosyl-L-phenylalanyl- [ACD/Index Name]
(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-AMINO-3-METHYLPENTANAMIDO]PROPANAMIDO]-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDO]-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDO]-3-(3H-IMIDAZOL-4-YL)PROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-(4-HYDROXYPHENYL)PROPANAMIDO]-3-PHENYLPROPANAMIDO]-4-METHYLPENTANOIC ACID
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
[103131-69-7] [RN]
h-ile-ala-arg-arg-his-pro-tyr-phe-leu-oh
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

60776_FLUKA [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      An oligopeptide comprising of nine amino acids with sequence L-Ile-L-Ala-L-Arg-L-Arg-L-His-L-Pro-L-Tyr-L-Phe-L-Leu. It was originally isolated from pepsin-treated human plasma and shares some sequence homology with the C-terminal end of neurotensin. It is a potent histamine releaser and may serve as an inflammatory mediator. ChEBI CHEBI:80144

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1915
      Endogenous neurotensin-like peptide, originally isolated from pepsin-treated human plasma. Induces histamine release from rat peritoneal mast cells in vitro (ED50 ~ 10 mM). Tocris Bioscience 1915
      Neurotensin Receptors Tocris Bioscience 1915
      Neurotensin-like peptide Tocris Bioscience 1915
      Peptide Receptors Tocris Bioscience 1915

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 306.0±0.5 cm3
#H bond acceptors: 28
#H bond donors: 20
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 2.30
ACD/LogD (pH 5.5): -5.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 465 Å2
Polarizability: 121.3±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 827.3±7.0 cm3

Click to predict properties on the Chemicalize site


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