ChemSpider 2D Image | 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1R,2S)-1-{[(1-ethylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-4-[(5-methoxy-1-isoquinolinyl)oxy]-L-prolinamide | C37H51N5O9S

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1R,2S)-1-{[(1-ethylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-4-[(5-methoxy-1-isoquinolinyl)oxy]-L-prolinamide

  • Molecular FormulaC37H51N5O9S
  • Average mass741.894 Da
  • Monoisotopic mass741.340759 Da
  • ChemSpider ID9665923

  • 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-N-[(1R,2S)-1-{[(1-ethylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-4-[(5-methoxy-1-isochinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1R,2S)-1-{[(1-éthylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-4-[(5-méthoxy-1-isoquinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-N-[(1R,2S)-1-{[(1-ethylcyclopropyl)sulfonyl]carbamoyl}-2-vinylcyclopropyl]-4-[(5-methoxy-1-isoquinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-2-ethenyl-1-[[[(1-ethylcyclopropyl)sulfonyl]amino]carbonyl]cyclopropyl]-4-[(5-methoxy-1-isoquinolinyl)oxy]- [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: 4.02
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 191 Å2
Polarizability: 77.2±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 565.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement