ChemSpider 2D Image | Endomorphin-1 | C34H38N6O5

Endomorphin-1

  • Molecular FormulaC34H38N6O5
  • Average mass610.703 Da
  • Monoisotopic mass610.290344 Da
  • ChemSpider ID4470614
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

189388-22-5 [RN]
Endomorphin-1
L-Phenylalaninamide, L-tyrosyl-L-prolyl-L-tryptophyl- [ACD/Index Name]
L-Tyrosyl-L-prolyl-L-tryptophyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
L-Tyrosyl-L-prolyl-L-tryptophyl-L-phenylalaninamide [ACD/IUPAC Name]
L-Tyrosyl-L-prolyl-L-tryptophyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
H-Tyr-Pro-Trp-Phe-NH2
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide
(Dmt1)endomorphin-1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 1055
      Endogenous peptide with an exceptionally high affinity (Ki = 360 pM) and selectivity for ? opioid receptors (4000- and 15000-fold preference over ? and ? respectively). Tocris Bioscience 1055
      Endogenous peptide with an exceptionally high affinity (Ki = 360 pM) and selectivity for mu opioid receptors (4000- and 15000-fold preference over delta and kappa respectively). Tocris Bioscience 1055
      Mu Opioid Receptors Tocris Bioscience 1055
      Opioid Receptors Tocris Bioscience 1055
      Potent and selective ? agonist Tocris Bioscience 1055
      Potent and selective mu agonist Tocris Bioscience 1055

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1052.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 159.4±3.0 kJ/mol
Flash Point: 590.5±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 170.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 2.59
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 6.75
ACD/KOC (pH 7.4): 80.68
Polar Surface Area: 184 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 454.6±3.0 cm3

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