ChemSpider 2D Image | N-[(2-Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]phenylalanylphenylalanine | C37H40N4O5

N-[(2-Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]phenylalanylphenylalanine

  • Molecular FormulaC37H40N4O5
  • Average mass620.737 Da
  • Monoisotopic mass620.299866 Da
  • ChemSpider ID57448119

More details:

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

N-[(2-Tyrosyl-1,2,3,4-tetrahydro-3-isochinolinyl)methyl]phenylalanylphenylalanin [German] [ACD/IUPAC Name]
N-[(2-Tyrosyl-1,2,3,4-tétrahydro-3-isoquinoléinyl)méthyl]phénylalanylphénylalanine [French] [ACD/IUPAC Name]
N-[(2-Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinyl)methyl]phenylalanylphenylalanine [ACD/IUPAC Name]
Phenylalanine, N-[[2-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]methyl]phenylalanyl- [ACD/Index Name]
2-{2-[({2-[2-AMINO-3-(4-HYDROXYPHENYL)PROPANOYL]-3,4-DIHYDRO-1H-ISOQUINOLIN-3-YL}METHYL)AMINO]-3-PHENYLPROPANAMIDO}-3-PHENYLPROPANOIC ACID
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: 911.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.8±3.0 kJ/mol
Flash Point: 504.9±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 175.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.74
Polar Surface Area: 145 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 489.9±3.0 cm3

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