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

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

  • Molecular FormulaC36H44N4O8
  • Average mass660.757 Da
  • Monoisotopic mass660.315918 Da
  • ChemSpider ID24713055

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-N-[1-(carboxymethyl)cyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-, (4R)- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-[1-(carboxymethyl)cyclopropyl]-4-[(7-methoxy-2-phenyl-4-chinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-[1-(carboxyméthyl)cyclopropyl]-4-[(7-méthoxy-2-phényl-4-quinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-[1-(carboxymethyl)cyclopropyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL506665/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 871.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.6±3.0 kJ/mol
Flash Point: 480.6±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: 4.51
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 31.13
ACD/KOC (pH 5.5): 144.40
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 2.40
ACD/KOC (pH 7.4): 11.13
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

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