ChemSpider 2D Image | L-Tyrosyl-L-phenylalanyl-N-(1,2,3,4-tetrahydro-3-isoquinolinylcarbonyl)-L-phenylalanine | C37H38N4O6

L-Tyrosyl-L-phenylalanyl-N-(1,2,3,4-tetrahydro-3-isoquinolinylcarbonyl)-L-phenylalanine

  • Molecular FormulaC37H38N4O6
  • Average mass634.721 Da
  • Monoisotopic mass634.279114 Da
  • ChemSpider ID88298642

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

L-Phenylalanine, L-tyrosyl-L-phenylalanyl-N-[(1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl]- [ACD/Index Name]
L-Tyrosyl-L-phenylalanyl-N-(1,2,3,4-tetrahydro-3-isochinolinylcarbonyl)-L-phenylalanin [German] [ACD/IUPAC Name]
L-Tyrosyl-L-phénylalanyl-N-(1,2,3,4-tétrahydro-3-isoquinoléinylcarbonyl)-L-phénylalanine [French] [ACD/IUPAC Name]
L-Tyrosyl-L-phenylalanyl-N-(1,2,3,4-tetrahydro-3-isoquinolinylcarbonyl)-L-phenylalanine [ACD/IUPAC Name]
146369-65-5 [RN]
TIPP

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

Density: 1.3±0.1 g/cm3
Boiling Point: 930.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 516.3±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 175.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.71
Polar Surface Area: 162 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 63.6±3.0 dyne/cm
Molar Volume: 485.9±3.0 cm3

Click to predict properties on the Chemicalize site


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