ChemSpider 2D Image | Narlaprevir | C36H61N5O7S

Narlaprevir

  • Molecular FormulaC36H61N5O7S
  • Average mass707.964 Da
  • Monoisotopic mass707.429199 Da
  • ChemSpider ID10031710
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1R,2S,5S)-N-[(3S)-1-(Cyclopropylamino)-1,2-dioxo-3-heptanyl]-6,6-dimethyl-3-{3-methyl-N-[(1-{[(2-methyl-2-propanyl)sulfonyl]methyl}cyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexan-2-carboxamid [German] [ACD/IUPAC Name]
(1R,2S,5S)-N-[(3S)-1-(Cyclopropylamino)-1,2-dioxo-3-heptanyl]-6,6-dimethyl-3-{3-methyl-N-[(1-{[(2-methyl-2-propanyl)sulfonyl]methyl}cyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxami de [ACD/IUPAC Name]
(1R,2S,5S)-N-[(3S)-1-(Cyclopropylamino)-1,2-dioxo-3-heptanyl]-6,6-diméthyl-3-{3-méthyl-N-[(1-{[(2-méthyl-2-propanyl)sulfonyl]méthyl}cyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxami de [French] [ACD/IUPAC Name]
2857LA2O07
3-Azabicyclo[3.1.0]hexane-2-carboxamide, N-[(1S)-1-[2-(cyclopropylamino)-1,2-dioxoethyl]pentyl]-3-[(2S)-2-[[[[1-[[(1,1-dimethylethyl)sulfonyl]methyl]cyclohexyl]amino]carbonyl]amino]-3,3-dimethyl-1-oxo butyl]-6,6-dimethyl-, (1R,2S,5S)- [ACD/Index Name]
865466-24-6 [RN]
9227
Narlaprevir [USAN]
(1R,2S,5S)-3-((S)-2-(3-(1-((tert-butylsulfonyl)methyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
(1R,2S,5S)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SCH 900518 [DBID]
SCH-900518 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Anti-infection MedChem Express HY-10300
      Anti-infection; Metabolism/Protease; MedChem Express HY-10300
      HCV MedChem Express HY-10300
      HCV HCV NS3/4A Protease MedChem Express HY-10300
      Narlaprevir is a potent, selective, orally bioavailable NS3 protease inhibitor(Ki=6 nM; EC90=40 nM) MedChem Express
      Narlaprevir is a potent, selective, orally bioavailable NS3 protease inhibitor(Ki=6 nM; EC90=40 nM); IC50 Value: 6 nM (Ki); Target: HCV NS3/4A Protease; HCV; Narlaprevir (SCH 900518) is a potent inhibitor of the hepatitis C virus (HCV) nonstructural protein 3 serine protease that is primarily metabolized by the cytochrome P450-3A4 system. MedChem Express HY-10300
      Narlaprevir is a potent, selective, orally bioavailable NS3 protease inhibitor(Ki=6 nM; EC90=40 nM);IC50 Value: 6 nM (Ki);Target: HCV NS3/4A Protease; HCVNarlaprevir (SCH 900518) is a potent inhibitor of the hepatitis C virus (HCV) nonstructural protein 3 serine protease that is primarily metabolized by the cytochrome P450-3A4 system. Narlaprevir administration resulted in a robust HCV-RNA decline and high SVR rates when followed by standard of care in both treatment-experienced and treatment-naive HCV genotype 1-infected patients. MedChem Express HY-10300

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.558
Molar Refractivity: 188.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 424.39
ACD/KOC (pH 5.5): 2644.13
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 424.37
ACD/KOC (pH 7.4): 2644.01
Polar Surface Area: 179 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 584.3±5.0 cm3

Click to predict properties on the Chemicalize site






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