ChemSpider 2D Image | N-[(1S)-1-[[(1S)-1-[(2S,4R)-4-benzamido-2-[[(1S)-1-formylpropyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrazine-2-carboxamide | C31H41N7O6

N-[(1S)-1-[[(1S)-1-[(2S,4R)-4-benzamido-2-[[(1S)-1-formylpropyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]pyrazine-2-carboxamide

  • Molecular FormulaC31H41N7O6
  • Average mass607.701 Da
  • Monoisotopic mass607.311829 Da
  • ChemSpider ID442504

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-(pyrazinylcarbonyl)-L-valyl-L-valyl-4-(benzoylamino)-N-[(1S)-1-formylpropyl]-, (4R)-

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

AIDS170033 [DBID]
AIDS-170033 [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: 965.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.8±3.0 kJ/mol
Flash Point: 537.9±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 161.5±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 150.21
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.72
ACD/KOC (pH 7.4): 150.20
Polar Surface Area: 180 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 479.3±5.0 cm3

Click to predict properties on the Chemicalize site


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