ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-3-methyl-1-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1-oxo-2-butanyl}-L-prolinamide | C27H38N4O6

N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-3-methyl-1-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1-oxo-2-butanyl}-L-prolinamide

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID8205036

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-1-[[(4S)-4,5-dihydro-4-methyl-2-oxazolyl]carbonyl]-2-methylpropyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-3-methyl-1-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1-oxo-2-butanyl}-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-3-methyl-1-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1-oxo-2-butanyl}-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-3-méthyl-1-[(4S)-4-méthyl-4,5-dihydro-1,3-oxazol-2-yl]-1-oxo-2-butanyl}-L-prolinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-3-methyl-1-[(4S)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]-1-oxobutan-2-yl}-L-prolinamide
((S)-2-Methyl-1-{(S)-2-[(S)-2-methyl-1-((S)-4-methyl-4,5-dihydro-oxazole-2-carbonyl)-propylcarbamoyl]-pyrrolidine-1-carbonyl}-propyl)-carbamic acid benzyl ester

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: 1.598
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.49
ACD/KOC (pH 5.5): 438.85
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.50
ACD/KOC (pH 7.4): 438.88
Polar Surface Area: 126 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 403.8±7.0 cm3

Click to predict properties on the Chemicalize site


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