ChemSpider 2D Image | Benzyl N-[(4-{[(2S)-1-(benzyloxy)-1-oxo-2-propanyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-leucinate | C28H32N4O6

Benzyl N-[(4-{[(2S)-1-(benzyloxy)-1-oxo-2-propanyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-leucinate

  • Molecular FormulaC28H32N4O6
  • Average mass520.577 Da
  • Monoisotopic mass520.232178 Da
  • ChemSpider ID21447257
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Benzyl N-[(4-{[(2S)-1-(benzyloxy)-1-oxo-2-propanyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-leucinate [ACD/IUPAC Name]
Benzyl-N-[(4-{[(2S)-1-(benzyloxy)-1-oxo-2-propanyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N-[[4-[[[(1S)-1-methyl-2-oxo-2-(phenylmethoxy)ethyl]amino]carbonyl]-1H-imidazol-5-yl]carbonyl]-, phenylmethyl ester [ACD/Index Name]
N-[(4-{[(2S)-1-(Benzyloxy)-1-oxo-2-propanyl]carbamoyl}-1H-imidazol-5-yl)carbonyl]-L-leucinate de benzyle [French] [ACD/IUPAC Name]
AE02_AE04

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

Density: 1.2±0.1 g/cm3
Boiling Point: 793.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 433.7±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.55
ACD/KOC (pH 5.5): 1283.11
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 131.39
ACD/KOC (pH 7.4): 1090.81
Polar Surface Area: 139 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 419.7±3.0 cm3

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