ChemSpider 2D Image | N-Allyl-L-tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamide | C35H41N5O5

N-Allyl-L-tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamide

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID23292005
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Phenylalaninamide, N-2-propen-1-yl-L-tyrosyl-L-prolyl-L-phenylalanyl- [ACD/Index Name]
N-(prop-2-en-1-yl)-L-tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamide
N-Allyl-L-tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-Allyl-L-tyrosyl-L-prolyl-L-phenylalanyl-L-phenylalaninamide [ACD/IUPAC Name]
N-Allyl-L-tyrosyl-L-prolyl-L-phénylalanyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(S)-1-((S)-2-(allylamino)-3-(4-hydroxyphenyl)propanoyl)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CHEMBL266988

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 971.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.3±3.0 kJ/mol
Flash Point: 541.0±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 171.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 2.31
ACD/KOC (pH 5.5): 19.73
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 77.54
ACD/KOC (pH 7.4): 663.94
Polar Surface Area: 154 Å2
Polarizability: 68.0±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 492.0±3.0 cm3

Click to predict properties on the Chemicalize site






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