ChemSpider 2D Image | N-{(2R)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2R)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-D-phenylalaninamide | C40H57N5O7

N-{(2R)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2R)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-D-phenylalaninamide

  • Molecular FormulaC40H57N5O7
  • Average mass719.910 Da
  • Monoisotopic mass719.425781 Da
  • ChemSpider ID58791764

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

D-Phenylalaninamide, N-[(2R)-2-[[2-(4-morpholinyl)acetyl]amino]-1-oxo-4-phenylbutyl]-L-leucyl-N-[(1R)-3-methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl]- [ACD/Index Name]
N-[(2R)-2-{[2-(4-Morpholinyl)acétyl]amino}-4-phénylbutanoyl]-L-leucyl-N-{(2R)-4-méthyl-1-[(2S)-2-méthyl-2-oxiranyl]-1-oxo-2-pentanyl}-D-phénylalaninamide [French] [ACD/IUPAC Name]
N-{(2R)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2R)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-D-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(2R)-2-[(4-Morpholinylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-{(2R)-4-methyl-1-[(2S)-2-methyl-2-oxiranyl]-1-oxo-2-pentanyl}-D-phenylalaninamide [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: 975.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.3±3.0 kJ/mol
Flash Point: 543.8±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 197.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 1256.10
ACD/KOC (pH 5.5): 5186.88
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1794.35
ACD/KOC (pH 7.4): 7409.50
Polar Surface Area: 158 Å2
Polarizability: 78.3±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 619.6±3.0 cm3

Click to predict properties on the Chemicalize site


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