ChemSpider 2D Image | 3-Methyl-N-{[(2-methyl-2-butanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclobutylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide | C37H51N5O9S

3-Methyl-N-{[(2-methyl-2-butanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclobutylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide

  • Molecular FormulaC37H51N5O9S
  • Average mass741.894 Da
  • Monoisotopic mass741.340759 Da
  • ChemSpider ID17236006

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Methyl-N-{[(2-methyl-2-butanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclobutylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isochinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-butanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclobutylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-méthoxy-1-isoquinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-butanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclobutylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, N-[(1,1-dimethylpropoxy)carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-1-[[(cyclobutylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-4-[(6-methoxy-1-isoquinolinyl)oxy]-, (4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.605
Molar Refractivity: 194.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 21.25
ACD/KOC (pH 5.5): 131.75
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 4.88
ACD/KOC (pH 7.4): 30.24
Polar Surface Area: 191 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 565.5±5.0 cm3

Click to predict properties on the Chemicalize site


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