ChemSpider 2D Image | 3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(dimethylsulfamoyl)carbamoyl]-2-vinylcyclopropyl}-4-[(3-methyl-5-phenyl-1,2-benzoxazol-7-yl)oxy]-L-prolinamide | C38H50N6O9S

3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(dimethylsulfamoyl)carbamoyl]-2-vinylcyclopropyl}-4-[(3-methyl-5-phenyl-1,2-benzoxazol-7-yl)oxy]-L-prolinamide

  • Molecular FormulaC38H50N6O9S
  • Average mass766.903 Da
  • Monoisotopic mass766.335999 Da
  • ChemSpider ID9709866

  • 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-[(dimethylsulfamoyl)carbamoyl]-2-vinylcyclopropyl}-4-[(3-methyl-5-phenyl-1,2-benzoxazol-7-yl)oxy]-L-prolinamid [German] [ACD/IUPAC Name]
3-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(dimethylsulfamoyl)carbamoyl]-2-vinylcyclopropyl}-4-[(3-methyl-5-phenyl-1,2-benzoxazol-7-yl)oxy]-L-prolinamide [ACD/IUPAC Name]
3-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-valyl-(4R)-N-{(1R,2S)-1-[(diméthylsulfamoyl)carbamoyl]-2-vinylcyclopropyl}-4-[(3-méthyl-5-phényl-1,2-benzoxazol-7-yl)oxy]-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-L-valyl-N-[(1R,2S)-1-[[[(dimethylamino)sulfonyl]amino]carbonyl]-2-ethenylcyclopropyl]-4-[(3-methyl-5-phenyl-1,2-benzisoxazol-7-yl)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: 1.619
Molar Refractivity: 202.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 55.71
ACD/KOC (pH 5.5): 391.51
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 3.60
ACD/KOC (pH 7.4): 25.32
Polar Surface Area: 198 Å2
Polarizability: 80.1±0.5 10-24cm3
Surface Tension: 62.7±5.0 dyne/cm
Molar Volume: 576.0±5.0 cm3

Click to predict properties on the Chemicalize site


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