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Search term: RRJUDVVMLCYZDV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2-Methyl-2-propanyl)sulfonyl]-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(4-morpholinyl)ethyl]amino}-5-oxo-2-pentanyl]-L-histidinamide | C36H55F2N7O8S

N-[(2-Methyl-2-propanyl)sulfonyl]-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(4-morpholinyl)ethyl]amino}-5-oxo-2-pentanyl]-L-histidinamide

  • Molecular FormulaC36H55F2N7O8S
  • Average mass783.926 Da
  • Monoisotopic mass783.380066 Da
  • ChemSpider ID61713153

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Histidinamide, N-[(1,1-dimethylethyl)sulfonyl]-L-phenylalanyl-N-[(1S)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[[2-(4-morpholinyl)ethyl]amino]-4-oxobutyl]- [ACD/Index Name]
N-[(2-Methyl-2-propanyl)sulfonyl]-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluor-3,3-dihydroxy-5-{[2-(4-morpholinyl)ethyl]amino}-5-oxo-2-pentanyl]-L-histidinamid [German] [ACD/IUPAC Name]
N-[(2-Methyl-2-propanyl)sulfonyl]-L-phenylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(4-morpholinyl)ethyl]amino}-5-oxo-2-pentanyl]-L-histidinamide [ACD/IUPAC Name]
N-[(2-Méthyl-2-propanyl)sulfonyl]-L-phénylalanyl-N-[(2S)-1-cyclohexyl-4,4-difluoro-3,3-dihydroxy-5-{[2-(4-morpholinyl)éthyl]amino}-5-oxo-2-pentanyl]-L-histidinamide [French] [ACD/IUPAC Name]
0QS
N2-[(2r)-2-Benzyl-3-(Tert-Butylsulfonyl)propanoyl]-N-{(1r)-1-(Cyclohexylmethyl)-3,3-Difluoro-2,2-Dihydroxy-4-[(2-Morpholin-4-Ylethyl)amino]-4-Oxobutyl}-3-(1h-Imidazol-3-Ium-4-Yl)-L-Alaninamide

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: 1.565
Molar Refractivity: 196.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.45
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 95.85
ACD/KOC (pH 7.4): 862.60
Polar Surface Area: 223 Å2
Polarizability: 78.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 604.0±3.0 cm3

Click to predict properties on the Chemicalize site


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