ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1-oxo-2-butanyl]-L-prolinamide | C31H39N5O5

N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1-oxo-2-butanyl]-L-prolinamide

  • Molecular FormulaC31H39N5O5
  • Average mass561.672 Da
  • Monoisotopic mass561.295105 Da
  • ChemSpider ID8590859
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-2-methyl-1-[(1-methyl-1H-benzimidazol-2-yl)carbonyl]propyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1-oxo-2-butanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1-oxo-2-butanyl]-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-[(2S)-3-méthyl-1-(1-méthyl-1H-benzimidazol-2-yl)-1-oxo-2-butanyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-1-oxobutan-2-yl]-L-prolinamide
((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-(1-methyl-1H-benzoimidazole-2-carbonyl)-propylcarbamoyl]-pyrrolidine-1-carbonyl}-propyl)-carbamic acid benzyl ester
benzyl (S)-1-((S)-2-(((S)-3-methyl-1-(1-methyl-1H-benzo[d]imidazol-2-yl)-1-oxobutan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.18
ACD/KOC (pH 5.5): 1800.17
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.07
ACD/KOC (pH 7.4): 1806.63
Polar Surface Area: 123 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 443.7±7.0 cm3

Click to predict properties on the Chemicalize site






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