ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]leucyl-N~1~-[3-Fluoro-1-(4-Hydroxybenzyl)-2-Oxopropyl]leucinamide | C30H40FN3O6

N-[(Benzyloxy)carbonyl]leucyl-N1-[3-Fluoro-1-(4-Hydroxybenzyl)-2-Oxopropyl]leucinamide

  • Molecular FormulaC30H40FN3O6
  • Average mass557.654 Da
  • Monoisotopic mass557.290100 Da
  • ChemSpider ID9679808

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-3-fluoro-1-[(4-hydroxyphenyl)methyl]-2-oxopropyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]leucyl-N1-[3-Fluoro-1-(4-Hydroxybenzyl)-2-Oxopropyl]leucinamide
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-fluor-1-(4-hydroxyphenyl)-3-oxo-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-fluoro-1-(4-hydroxyphenyl)-3-oxo-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-4-fluoro-1-(4-hydroxyphényl)-3-oxo-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
133410-84-1 [RN]
Calpain inhibitor IV
CBZ-LEU-LEU-TYR-CH2F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 800.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 438.2±34.3 °C
Index of Refraction: 1.541
Molar Refractivity: 148.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.37
ACD/KOC (pH 5.5): 2344.17
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 356.78
ACD/KOC (pH 7.4): 2333.75
Polar Surface Area: 134 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 474.1±3.0 cm3

Click to predict properties on the Chemicalize site


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