ChemSpider 2D Image | N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-N-[(2S)-1-oxo-2-butanyl]-4-phenoxy-L-prolinamide | C30H40N6O6

N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-N-[(2S)-1-oxo-2-butanyl]-4-phenoxy-L-prolinamide

  • Molecular FormulaC30H40N6O6
  • Average mass580.675 Da
  • Monoisotopic mass580.300903 Da
  • ChemSpider ID23209591

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Prolinamide, N-(2-pyrazinylcarbonyl)-D-valyl-D-valyl-N-[(1S)-1-formylpropyl]-4-phenoxy-, (4R)- [ACD/Index Name]
N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-N-[(2S)-1-oxo-2-butanyl]-4-phenoxy-L-prolinamid [German] [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-N-[(2S)-1-oxo-2-butanyl]-4-phenoxy-L-prolinamide [ACD/IUPAC Name]
N-(2-Pyrazinylcarbonyl)-D-valyl-D-valyl-(4R)-N-[(2S)-1-oxo-2-butanyl]-4-phénoxy-L-prolinamide [French] [ACD/IUPAC Name]
N-(pyrazin-2-ylcarbonyl)-D-valyl-D-valyl-(4R)-N-[(2S)-1-oxobutan-2-yl]-4-phenoxy-L-prolinamide
CHEMBL130397
Pyrazine-2-carboxylic acid ((R)-1-{(R)-1-[(2S,4R)-2-((S)-1-formyl-propylcarbamoyl)-4-phenoxy-pyrrolidine-1-carbonyl]-2-methyl-propylcarbamoyl}-2-methyl-propyl)-amide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 882.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 487.3±34.3 °C
Index of Refraction: 1.558
Molar Refractivity: 154.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.22
ACD/KOC (pH 5.5): 143.20
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.22
ACD/KOC (pH 7.4): 143.20
Polar Surface Area: 160 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 478.5±3.0 cm3

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