ChemSpider 2D Image | N-(3-Methylbutyl)-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide | C31H45N3O4

N-(3-Methylbutyl)-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID23113407

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosinamide, N-(3-methylbutyl)-L-leucyl-O-benzoyl-N-(1,1-dimethylethyl)- [ACD/Index Name]
N-(3-Methylbutyl)-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
N-(3-Methylbutyl)-L-leucyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide [ACD/IUPAC Name]
N-(3-Méthylbutyl)-L-leucyl-O-benzoyl-N-(2-méthyl-2-propanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
Benzoic acid 4-{(S)-2-tert-butylcarbamoyl-2-[(S)-4-methyl-2-(3-methyl-butylamino)-pentanoylamino]-ethyl}-phenyl ester
CHEMBL275612
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL275612/
N-(3-methylbutyl)-L-leucyl-O-benzoyl-N-tert-butyl-L-tyrosinamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 711.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 383.8±32.9 °C
Index of Refraction: 1.531
Molar Refractivity: 152.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 50.58
ACD/KOC (pH 5.5): 106.55
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 2463.89
ACD/KOC (pH 7.4): 5190.84
Polar Surface Area: 97 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 39.9±3.0 dyne/cm
Molar Volume: 492.0±3.0 cm3

Click to predict properties on the Chemicalize site


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