ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide | C24H32F3N3O5

N-[(Benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide

  • Molecular FormulaC24H32F3N3O5
  • Average mass499.523 Da
  • Monoisotopic mass499.229401 Da
  • ChemSpider ID23238796
  • 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)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluor-4-methyl-2-oxo-3-pentanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-méthyl-2-oxo-3-pentanyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]-L-prolinamide
{(S)-2-Methyl-1-[(S)-2-((S)-3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-pyrrolidine-1-carbonyl]-propyl}-carbamic acid benzyl ester
benzyl (S)-1-((S)-2-(((S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 350.9±31.5 °C
Index of Refraction: 1.508
Molar Refractivity: 120.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.98
ACD/KOC (pH 5.5): 1443.21
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 181.95
ACD/KOC (pH 7.4): 1442.97
Polar Surface Area: 105 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

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