ChemSpider 2D Image | 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-(1-carboxycyclopropyl)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-L-prolinamide | C36H44N4O8

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-(1-carboxycyclopropyl)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-L-prolinamide

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID437975
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-(1-carboxycyclopropyl)-4-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-(1-carboxycyclopropyl)-4-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-(1-carboxycyclopropyl)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-N-(1-carboxycyclopropyl)-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-, (4R)- [ACD/Index Name]
1-[(1-{(2S)-2-[(Tert-butoxy)carbonylamino]-3,3-dimethylbutanoyl}(2S,4R)-4-(7-methoxy-2-phenyl(4-quinolyloxy))pyrrolidin-2-yl)carbonylamino]cyclopropanecarboxylic acid

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

AIDS162077 [DBID]
AIDS-162077 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 862.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.3±3.0 kJ/mol
Flash Point: 475.4±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 178.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 10.03
ACD/KOC (pH 5.5): 53.38
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.18
Polar Surface Area: 156 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 63.0±5.0 dyne/cm
Molar Volume: 504.4±5.0 cm3

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