ChemSpider 2D Image | N-(Cyclohexylmethyl)-N-methyl-L-leucyl-O-benzyl-N-(2-methyl-2-propanyl)-L-tyrosinamide | C34H51N3O3

N-(Cyclohexylmethyl)-N-methyl-L-leucyl-O-benzyl-N-(2-methyl-2-propanyl)-L-tyrosinamide

  • Molecular FormulaC34H51N3O3
  • Average mass549.787 Da
  • Monoisotopic mass549.393066 Da
  • ChemSpider ID23146803

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosinamide, N-(cyclohexylmethyl)-N-methyl-L-leucyl-N-(1,1-dimethylethyl)-O-(phenylmethyl)- [ACD/Index Name]
N-(Cyclohexylmethyl)-N-methyl-L-leucyl-O-benzyl-N-(2-methyl-2-propanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
N-(Cyclohexylmethyl)-N-methyl-L-leucyl-O-benzyl-N-(2-methyl-2-propanyl)-L-tyrosinamide [ACD/IUPAC Name]
N-(Cyclohexylméthyl)-N-méthyl-L-leucyl-O-benzyl-N-(2-méthyl-2-propanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
(S)-2-(Cyclohexylmethyl-methyl-amino)-4-methyl-pentanoic acid [(S)-2-(4-benzyloxy-phenyl)-1-tert-butylcarbamoyl-ethyl]-amide
CHEMBL50210

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

Density: 1.0±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.537
Molar Refractivity: 163.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 1758.68
ACD/KOC (pH 5.5): 2374.79
ACD/LogD (pH 7.4): 6.61
ACD/BCF (pH 7.4): 55097.91
ACD/KOC (pH 7.4): 74400.09
Polar Surface Area: 71 Å2
Polarizability: 64.9±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 524.3±3.0 cm3

Click to predict properties on the Chemicalize site


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