ChemSpider 2D Image | Deltorphin 1 | C37H52N8O10

Deltorphin 1

  • Molecular FormulaC37H52N8O10
  • Average mass768.856 Da
  • Monoisotopic mass768.380615 Da
  • ChemSpider ID8231517
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

Deltorphin 1 [Wiki]
deltorphin C
Glycinamide, L-tyrosyl-D-alanyl-L-phenylalanyl-L-α-aspartyl-L-valyl-L-valyl- [ACD/Index Name]
H-Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2
L-Tyrosyl-D-alanyl-L-phenylalanyl-L-α-asparagyl-L-valyl-L-valylglycinamid [German] [ACD/IUPAC Name]
L-Tyrosyl-D-alanyl-L-phenylalanyl-L-α-aspartyl-L-valyl-L-valylglycinamide [ACD/IUPAC Name]
L-Tyrosyl-D-alanyl-L-phénylalanyl-L-α-aspartyl-L-valyl-L-valylglycinamide [French] [ACD/IUPAC Name]
(3S)-3-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}propanoic acid
(3S)-3-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
(S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Solubility:

      Soluble to 0.40 mg/ml in 50% acetonitrile / water Tocris Bioscience 4591
      Soluble to 1 mg/ml in 20% formic acid Tocris Bioscience 4591
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 4591
      Delta Opioid Receptors Tocris Bioscience 4591
      Opioid Receptors Tocris Bioscience 4591
      Potent ? agonist Tocris Bioscience 4591
      Potent ?-opioid receptor agonist (IC50 = 0.5 nM in human granulocytes). Exhibits a high rate of blood-brain barrier penetrance. Tocris Bioscience 4591
      Potent delta agonist Tocris Bioscience 4591
      Potent delta-opioid receptor agonist (IC50 = 0.5 nM in human granulocytes). Exhibits a high rate of blood-brain barrier penetrance. Tocris Bioscience 4591

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1242.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.9±3.0 kJ/mol
Flash Point: 705.2±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 198.8±0.3 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -2.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 78.8±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 598.8±3.0 cm3

Click to predict properties on the Chemicalize site






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