ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxo-3-hexanyl}-L-leucinamide | C35H52N4O6

N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxo-3-hexanyl}-L-leucinamide

  • Molecular FormulaC35H52N4O6
  • Average mass624.811 Da
  • Monoisotopic mass624.388672 Da
  • ChemSpider ID35035134

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-1-[(1S)-2-[(2,4-dimethylphenyl)amino]-1-hydroxy-2-oxoethyl]-3-methylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxo-3-hexanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxo-3-hexanyl}-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-diméthylphényl)amino]-2-hydroxy-5-méthyl-1-oxo-3-hexanyl}-L-leucinamide [French] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-Leucyl-N-{(2s,3s)-1-[(2,4-Dimethylphenyl)amino]-2-Hydroxy-5-Methyl-1-Oxohexan-3-Yl}-L-Leucinamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 843.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.5±3.0 kJ/mol
Flash Point: 464.2±34.3 °C
Index of Refraction: 1.551
Molar Refractivity: 176.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31852.94
ACD/KOC (pH 5.5): 58162.71
ACD/LogD (pH 7.4): 6.23
ACD/BCF (pH 7.4): 31851.02
ACD/KOC (pH 7.4): 58159.20
Polar Surface Area: 146 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 553.7±3.0 cm3

Click to predict properties on the Chemicalize site


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