ChemSpider 2D Image | 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]-4-{[7-methoxy-2-(4-morpholinyl)-4-quinolinyl]oxy}-L-prolinamide | C36H49N5O9

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

  • Molecular FormulaC36H49N5O9
  • Average mass695.802 Da
  • Monoisotopic mass695.353027 Da
  • ChemSpider ID438060

  • defined stereocentres - 4 of 5 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-[(2R)-1-carboxy-2-vinylcyclopropyl]-4-{[7-methoxy-2-(4-morpholinyl)-4-chinolinyl]oxy}-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]-4-{[7-méthoxy-2-(4-morpholinyl)-4-quinoléinyl]oxy}-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-[(2R)-1-carboxy-2-vinylcyclopropyl]-4-{[7-methoxy-2-(4-morpholinyl)-4-quinolinyl]oxy}-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-N-[(2R)-1-carboxy-2-ethenylcyclopropyl]-4-[[7-methoxy-2-(4-morpholinyl)-4-quinolinyl]oxy]-, (4R)- [ACD/Index Name]
(2R)-1-[(1-{(2S)-2-[(Tert-butoxy)carbonylamino]-3,3-dimethylbutanoyl}(2S,4R)-4-(7-methoxy-2-morpholin-4-yl(4-quinolyloxy))pyrrolidin-2-yl)carbonylamino]-2-vinylcyclopropanecarboxylic acid

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

AIDS162165 [DBID]
AIDS-162165 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 898.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.8±3.0 kJ/mol
Flash Point: 497.0±34.3 °C
Index of Refraction: 1.612
Molar Refractivity: 184.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.71
Polar Surface Area: 169 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 531.7±5.0 cm3

Click to predict properties on the Chemicalize site


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