ChemSpider 2D Image | Nalpha-(tert-butoxycarbonyl)-N-[(2S)-1-{[(2S)-1-(furan-2-yl)-3-methyl-1-oxobutan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-L-phenylalaninamide | C29H41N3O6

Nα-(tert-butoxycarbonyl)-N-[(2S)-1-{[(2S)-1-(furan-2-yl)-3-methyl-1-oxobutan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-L-phenylalaninamide

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID23302833

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1S)-1-(2-furanylcarbonyl)-2-methylpropyl]- [ACD/Index Name]
N-[(2S)-1-{[(2S)-1-(2-Furyl)-3-methyl-1-oxo-2-butanyl]amino}-4-methyl-1-oxo-2-pentanyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-(2-Furyl)-3-methyl-1-oxo-2-butanyl]amino}-4-methyl-1-oxo-2-pentanyl]-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-(2-Furyl)-3-méthyl-1-oxo-2-butanyl]amino}-4-méthyl-1-oxo-2-pentanyl]-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-(tert-butoxycarbonyl)-N-[(2S)-1-{[(2S)-1-(furan-2-yl)-3-methyl-1-oxobutan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]-L-phenylalaninamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL429289/
tert-butyl (S)-1-((S)-1-((S)-1-(furan-2-yl)-3-methyl-1-oxobutan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-1-oxo-3-phenylpropan-2-ylcarbamate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.524
Molar Refractivity: 144.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.59
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 638.35
ACD/KOC (pH 5.5): 3543.73
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.18
ACD/KOC (pH 7.4): 3542.81
Polar Surface Area: 127 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 471.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement