ChemSpider 2D Image | Methyl (3S)-3-[(N-benzoyl-L-phenylalanyl)amino]-2,2-dimethyl-4-phenylbutanoate | C29H32N2O4

Methyl (3S)-3-[(N-benzoyl-L-phenylalanyl)amino]-2,2-dimethyl-4-phenylbutanoate

  • Molecular FormulaC29H32N2O4
  • Average mass472.575 Da
  • Monoisotopic mass472.236206 Da
  • ChemSpider ID30658971

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-3-[(N-Benzoyl-L-phénylalanyl)amino]-2,2-diméthyl-4-phénylbutanoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[(2S)-2-(benzoylamino)-1-oxo-3-phenylpropyl]amino]-α,α-dimethyl-, methyl ester, (βS)- [ACD/Index Name]
Methyl (3S)-3-[(N-benzoyl-L-phenylalanyl)amino]-2,2-dimethyl-4-phenylbutanoate [ACD/IUPAC Name]
Methyl-(3S)-3-[(N-benzoyl-L-phenylalanyl)amino]-2,2-dimethyl-4-phenylbutanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.5±3.0 kJ/mol
Flash Point: 386.1±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.79
ACD/BCF (pH 5.5): 2592.24
ACD/KOC (pH 5.5): 9662.84
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2592.24
ACD/KOC (pH 7.4): 9662.82
Polar Surface Area: 85 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 410.0±3.0 cm3

Click to predict properties on the Chemicalize site


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