ChemSpider 2D Image | N-[(2R)-1-(Benzyloxy)-1-oxo-2-propanyl]-L-tryptophyl-L-norleucyl-L-leucinamide | C33H45N5O5

N-[(2R)-1-(Benzyloxy)-1-oxo-2-propanyl]-L-tryptophyl-L-norleucyl-L-leucinamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID8206933
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

L-Leucinamide, N-[(1R)-1-methyl-2-oxo-2-(phenylmethoxy)ethyl]-L-tryptophyl-L-norleucyl- [ACD/Index Name]
N-[(2R)-1-(Benzyloxy)-1-oxo-2-propanyl]-L-tryptophyl-L-norleucyl-L-leucinamid [German] [ACD/IUPAC Name]
N-[(2R)-1-(Benzyloxy)-1-oxo-2-propanyl]-L-tryptophyl-L-norleucyl-L-leucinamide [ACD/IUPAC Name]
N-[(2R)-1-(Benzyloxy)-1-oxo-2-propanyl]-L-tryptophyl-L-norleucyl-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 865.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 477.2±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 167.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.42
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 92.11
ACD/KOC (pH 5.5): 798.94
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.76
ACD/KOC (pH 7.4): 1142.88
Polar Surface Area: 155 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 502.9±3.0 cm3

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