ChemSpider 2D Image | N-{[2-(beta-Methyltyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}phenylalanylphenylalaninamide | C38H41N5O5

N-{[2-(β-Methyltyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}phenylalanylphenylalaninamide

  • Molecular FormulaC38H41N5O5
  • Average mass647.763 Da
  • Monoisotopic mass647.310791 Da
  • ChemSpider ID24817621

More details:

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

N-{[2-(β-Methyltyrosyl)-1,2,3,4-tetrahydro-3-isochinolinyl]carbonyl}phenylalanylphenylalaninamid [German] [ACD/IUPAC Name]
N-{[2-(β-Méthyltyrosyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]carbonyl}phénylalanylphénylalaninamide [French] [ACD/IUPAC Name]
N-{[2-(β-Methyltyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}phenylalanylphenylalaninamide [ACD/IUPAC Name]
Phenylalaninamide, N-[[2-[2-amino-3-(4-hydroxyphenyl)-1-oxobutyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]phenylalanyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1009.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.5±3.0 kJ/mol
Flash Point: 564.6±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 182.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.84
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 48.36
ACD/KOC (pH 7.4): 346.74
Polar Surface Area: 168 Å2
Polarizability: 72.3±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 507.0±3.0 cm3

Click to predict properties on the Chemicalize site


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