ChemSpider 2D Image | O-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-(4-oxo-4-phenyl-2-butanyl)-L-tyrosine | C31H32N2O5

O-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-(4-oxo-4-phenyl-2-butanyl)-L-tyrosine

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID393943

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Tyrosine, N-(1-methyl-3-oxo-3-phenylpropyl)-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]- [ACD/Index Name]
O-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-(4-oxo-4-phenyl-2-butanyl)-L-tyrosin [German] [ACD/IUPAC Name]
O-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-(4-oxo-4-phenyl-2-butanyl)-L-tyrosine [ACD/IUPAC Name]
O-[2-(5-Méthyl-2-phényl-1,3-oxazol-4-yl)éthyl]-N-(4-oxo-4-phényl-2-butanyl)-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-[(4-oxo-4-phenylbutan-2-yl)amino]propanoic acid
2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
GW409544

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

544 [DBID]
GW 409544 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 725.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 392.3±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 20.27
ACD/KOC (pH 5.5): 58.86
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 18.51
ACD/KOC (pH 7.4): 53.75
Polar Surface Area: 102 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 427.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement