ChemSpider 2D Image | N-{[2-(L-Tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methyl}-L-phenylalanyl-3-cyclohexylalanine | C37H46N4O5

N-{[2-(L-Tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methyl}-L-phenylalanyl-3-cyclohexylalanine

  • Molecular FormulaC37H46N4O5
  • Average mass626.785 Da
  • Monoisotopic mass626.346802 Da
  • ChemSpider ID58909115

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Alanine, N-[[2-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]methyl]-L-phenylalanyl-3-cyclohexyl- [ACD/Index Name]
N-{[2-(L-Tyrosyl)-1,2,3,4-tetrahydro-3-isochinolinyl]methyl}-L-phenylalanyl-3-cyclohexylalanin [German] [ACD/IUPAC Name]
N-{[2-(L-Tyrosyl)-1,2,3,4-tétrahydro-3-isoquinoléinyl]méthyl}-L-phénylalanyl-3-cyclohexylalanine [French] [ACD/IUPAC Name]
N-{[2-(L-Tyrosyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]methyl}-L-phenylalanyl-3-cyclohexylalanine [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 901.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.3±3.0 kJ/mol
Flash Point: 499.1±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 10.56
Polar Surface Area: 145 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 511.7±3.0 cm3

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