ChemSpider 2D Image | N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-N-{(1r,2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethenylcyclopropyl}-4-[(6-Methoxyisoquinolin-1-Yl)oxy]-L-Prolinamide | C35H47N5O9S

N-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-N-{(1r,2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethenylcyclopropyl}-4-[(6-Methoxyisoquinolin-1-Yl)oxy]-L-Prolinamide

  • Molecular FormulaC35H47N5O9S
  • Average mass713.841 Da
  • Monoisotopic mass713.309448 Da
  • ChemSpider ID30826699

  • 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-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isochinolinyl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-méthoxy-1-isoquinoléinyl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-4-[(6-methoxy-1-isoquinolinyl)oxy]-L-prolinamide [ACD/IUPAC Name]
630417-82-2 [RN]
L-Prolinamide, N-[(1,1-dimethylethoxy)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-(Tert-Butoxycarbonyl)-3-Methyl-L-Valyl-(4r)-N-{(1r,2s)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethenylcyclopropyl}-4-[(6-Methoxyisoquinolin-1-Yl)oxy]-L-Prolinamide
2R8

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

X5CV3YW4GQ [DBID]

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: 1.612
Molar Refractivity: 185.4±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 5.51
ACD/KOC (pH 5.5): 50.94
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 1.20
ACD/KOC (pH 7.4): 11.14
Polar Surface Area: 191 Å2
Polarizability: 73.5±0.5 10-24cm3
Surface Tension: 61.8±5.0 dyne/cm
Molar Volume: 533.5±5.0 cm3

Click to predict properties on the Chemicalize site


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