ChemSpider 2D Image | Benzoyl-Tyrosine-Alanine-Fluoro-Methyl Ketone | C21H23FN2O5

Benzoyl-Tyrosine-Alanine-Fluoro-Methyl Ketone

  • Molecular FormulaC21H23FN2O5
  • Average mass402.416 Da
  • Monoisotopic mass402.159088 Da
  • ChemSpider ID23161386

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzoyl-Tyrosine-Alanine-Fluoro-Methyl Ketone
Carbamic acid, N-[(1S)-2-[[(1S)-3-fluoro-1-methyl-2-oxopropyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxoethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-fluor-3-oxo-2-butanyl]-L-tyrosinamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxo-2-butanyl]-L-tyrosinamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxo-2-butanyl]-L-tyrosinamide [French] [ACD/IUPAC Name]
Nα-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide
[1-(3-Fluoro-1-methyl-2-oxo-propylcarbamoyl)-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid benzyl ester
N??-[(Benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxo-2-butanyl]-L-tyrosinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 367.2±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 103.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.25
ACD/KOC (pH 5.5): 380.38
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.12
ACD/KOC (pH 7.4): 378.67
Polar Surface Area: 105 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 318.5±3.0 cm3

Click to predict properties on the Chemicalize site


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