ChemSpider 2D Image | N-sec-Butyl-N-methyl-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide | C31H45N3O4

N-sec-Butyl-N-methyl-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID24683333

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Tyrosinamide, N-methyl-N-(1-methylpropyl)-L-leucyl-O-benzoyl-N-(1,1-dimethylethyl)- [ACD/Index Name]
N-sec-Butyl-N-methyl-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-methyl-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide [ACD/IUPAC Name]
N-sec-Butyl-N-méthyl-L-leucyl-O-benzoyl-N-(2-méthyl-2-propanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
CHEMBL352393
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL352393/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.7±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 152.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 286.99
ACD/KOC (pH 5.5): 589.13
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 10732.40
ACD/KOC (pH 7.4): 22031.24
Polar Surface Area: 88 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 490.5±3.0 cm3

Click to predict properties on the Chemicalize site


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