ChemSpider 2D Image | Neurokinin A | C50H80N14O14S

Neurokinin A

  • Molecular FormulaC50H80N14O14S
  • Average mass1133.321 Da
  • Monoisotopic mass1132.569946 Da
  • ChemSpider ID4470818

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

86933-74-6 [RN]
L-Histidyl-L-lysyl-L-threonyl-L-α-asparagyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamid [German] [ACD/IUPAC Name]
L-Histidyl-L-lysyl-L-threonyl-L-α-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl-L-methioninamide [ACD/IUPAC Name]
L-Histidyl-L-lysyl-L-thréonyl-L-α-aspartyl-L-séryl-L-phénylalanyl-L-valylglycyl-L-leucyl-L-méthioninamide [French] [ACD/IUPAC Name]
L-Methioninamide, L-histidyl-L-lysyl-L-threonyl-L-α-aspartyl-L-seryl-L-phenylalanyl-L-valylglycyl-L-leucyl- [ACD/Index Name]
Neurokinin A [Wiki]
substance K
(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(3H-imidazol-4-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
[¹²⁵I]NKA (human, mouse, rat)
More...

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

94168F9W1D [DBID]
UNII:94168F9W1D [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1152
      Endogenous tachykinin peptide Tocris Bioscience 1152
      Endogenous tachykinin peptide; more potent bronchoconstrictor than Substance P. Tocris Bioscience 1152
      Peptide Receptors Tocris Bioscience 1152
      Tachykinin Receptors Tocris Bioscience 1152

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1610.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 264.2±3.0 kJ/mol
Flash Point: 927.9±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 288.9±0.3 cm3
#H bond acceptors: 28
#H bond donors: 19
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -6.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 489 Å2
Polarizability: 114.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 868.0±3.0 cm3

Click to predict properties on the Chemicalize site


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