ChemSpider 2D Image | N-{[(1S)-2-Methoxy-1-phenylethyl]carbamoyl}-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide | C40H50N6O9S

N-{[(1S)-2-Methoxy-1-phenylethyl]carbamoyl}-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide

  • Molecular FormulaC40H50N6O9S
  • Average mass790.925 Da
  • Monoisotopic mass790.335999 Da
  • ChemSpider ID90655758

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Prolinamide, N-[[[(1S)-2-methoxy-1-phenylethyl]amino]carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-4-[(6-methoxy-1-isoquinolinyl)oxy]-, (4R)- [ACD/Index Name]
N-{[(1S)-2-Methoxy-1-phenylethyl]carbamoyl}-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isochinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
N-{[(1S)-2-Méthoxy-1-phényléthyl]carbamoyl}-3-méthyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-méthoxy-1-isoquinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
N-{[(1S)-2-Methoxy-1-phenylethyl]carbamoyl}-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide [ACD/IUPAC 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: 209.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 5.50
ACD/KOC (pH 5.5): 47.76
ACD/LogD (pH 7.4): 1.14
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 12.67
Polar Surface Area: 203 Å2
Polarizability: 82.9±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 582.8±5.0 cm3

Click to predict properties on the Chemicalize site


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