ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-leucyl-N-[(1E,3S)-6-amino-1-carboxy-6-oxo-1-hexen-3-yl]-L-phenylalaninamide | C32H49N5O8

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-leucyl-N-[(1E,3S)-6-amino-1-carboxy-6-oxo-1-hexen-3-yl]-L-phenylalaninamide

  • Molecular FormulaC32H49N5O8
  • Average mass631.760 Da
  • Monoisotopic mass631.358093 Da
  • ChemSpider ID8945620

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(1,1-dimethylethoxy)carbonyl]-L-valyl-L-leucyl-N-[(1S)-4-amino-1-[(E)-2-carboxyethenyl]-4-oxobutyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-leucyl-N-[(1E,3S)-6-amino-1-carboxy-6-oxo-1-hexen-3-yl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-valyl-L-leucyl-N-[(1E,3S)-6-amino-1-carboxy-6-oxo-1-hexen-3-yl]-L-phenylalaninamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-valyl-L-leucyl-N-[(1E,3S)-6-amino-1-carboxy-6-oxo-1-hexén-3-yl]-L-phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 975.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.8±3.0 kJ/mol
Flash Point: 543.6±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 168.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 2.02
ACD/KOC (pH 5.5): 26.54
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 539.9±3.0 cm3

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