ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-1-anilino-2-hydroxy-5-methyl-1-oxo-3-hexanyl]-L-leucinamide | C33H48N4O6

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-1-anilino-2-hydroxy-5-methyl-1-oxo-3-hexanyl]-L-leucinamide

  • Molecular FormulaC33H48N4O6
  • Average mass596.757 Da
  • Monoisotopic mass596.357361 Da
  • ChemSpider ID35034876

  • 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)-1-hydroxy-2-oxo-2-(phenylamino)ethyl]-3-methylbutyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-1-anilino-2-hydroxy-5-methyl-1-oxo-3-hexanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-1-anilino-2-hydroxy-5-methyl-1-oxo-3-hexanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S,3S)-1-anilino-2-hydroxy-5-méthyl-1-oxo-3-hexanyl]-L-leucinamide [French] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-Leucyl-N-[(2s,3s)-2-Hydroxy-5-Methyl-1-Oxo-1-(Phenylamino)hexan-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: 847.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 466.4±34.3 °C
Index of Refraction: 1.554
Molar Refractivity: 166.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3212.21
ACD/KOC (pH 5.5): 11258.62
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3211.64
ACD/KOC (pH 7.4): 11256.64
Polar Surface Area: 146 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 521.2±3.0 cm3

Click to predict properties on the Chemicalize site


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