ChemSpider 2D Image | 1-({(4R)-4-[(7-Methoxy-2-phenyl-4-quinolinyl)oxy]-1-[(3R)-4-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]-L-prolyl}amino)cyclopropanecarboxylic acid | C36H44N4O8

1-({(4R)-4-[(7-Methoxy-2-phenyl-4-quinolinyl)oxy]-1-[(3R)-4-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]-L-prolyl}amino)cyclopropanecarboxylic acid

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID24687160

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-({(4R)-4-[(7-Methoxy-2-phenyl-4-chinolinyl)oxy]-1-[(3R)-4-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]-L-prolyl}amino)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
1-({(4R)-4-[(7-Methoxy-2-phenyl-4-quinolinyl)oxy]-1-[(3R)-4-methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]-L-prolyl}amino)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 1-({(4R)-4-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]-1-[(3R)-4-méthyl-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)pentanoyl]-L-prolyl}amino)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 1-[[[(2S,4R)-1-[(3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl-1-oxopentyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinyl]carbonyl]amino]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448910/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 872.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 481.6±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: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 11.04
ACD/KOC (pH 5.5): 57.53
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.50
Polar Surface Area: 156 Å2
Polarizability: 70.7±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 504.6±5.0 cm3

Click to predict properties on the Chemicalize site


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