ChemSpider 2D Image | N-Methyl-N-(3-methylbutyl)-L-valyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide | C31H45N3O4

N-Methyl-N-(3-methylbutyl)-L-valyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide

  • Molecular FormulaC31H45N3O4
  • Average mass523.707 Da
  • Monoisotopic mass523.341003 Da
  • ChemSpider ID23113343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosinamide, N-methyl-N-(3-methylbutyl)-L-valyl-O-benzoyl-N-(1,1-dimethylethyl)- [ACD/Index Name]
N-Methyl-N-(3-methylbutyl)-L-valyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
N-Methyl-N-(3-methylbutyl)-L-valyl-O-benzoyl-N-(2-methyl-2-propanyl)-L-tyrosinamide [ACD/IUPAC Name]
N-Méthyl-N-(3-méthylbutyl)-L-valyl-O-benzoyl-N-(2-méthyl-2-propanyl)-L-tyrosinamide [French] [ACD/IUPAC Name]
Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-3-methyl-2-[methyl-(3-methyl-butyl)-amino]-butyrylamino}-ethyl)-phenyl ester
CHEMBL273705
N-methyl-N-(3-methylbutyl)-L-valyl-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: 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): 4.36
ACD/BCF (pH 5.5): 487.43
ACD/KOC (pH 5.5): 1000.59
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 13626.50
ACD/KOC (pH 7.4): 27972.18
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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