ChemSpider 2D Image | 3-Methyl-N-{[(1-methylcyclopentyl)oxy]carbonyl}-L-valyl-(4R)-4-{[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide | C40H50N6O9S

3-Methyl-N-{[(1-methylcyclopentyl)oxy]carbonyl}-L-valyl-(4R)-4-{[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide

  • Molecular FormulaC40H50N6O9S
  • Average mass790.925 Da
  • Monoisotopic mass790.335999 Da
  • ChemSpider ID9643272

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Methyl-N-{[(1-methylcyclopentyl)oxy]carbonyl}-L-valyl-(4R)-4-{[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxy-8-methyl-4-chinolinyl]oxy}-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(1-méthylcyclopentyl)oxy]carbonyl}-L-valyl-(4R)-4-{[2-(2-acétamido-1,3-thiazol-4-yl)-7-méthoxy-8-méthyl-4-quinoléinyl]oxy}-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(1-methylcyclopentyl)oxy]carbonyl}-L-valyl-(4R)-4-{[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-N-[(1R,2S)-1-carboxy-2-vinylcyclopropyl]-L-prolinamide [ACD/IUPAC Name]
L-Prolinamide, 3-methyl-N-[[(1-methylcyclopentyl)oxy]carbonyl]-L-valyl-4-[[2-[2-(acetylamino)-4-thiazolyl]-7-methoxy-8-methyl-4-quinolinyl]oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.637
Molar Refractivity: 208.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 90.44
ACD/KOC (pH 5.5): 394.93
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.45
ACD/KOC (pH 7.4): 6.35
Polar Surface Area: 227 Å2
Polarizability: 82.5±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 579.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement