ChemSpider 2D Image | methyl N-(benzyl{(2R,3R)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}carbamoyl)-D-leucinate | C30H43N3O6

methyl N-(benzyl{(2R,3R)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}carbamoyl)-D-leucinate

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID23281364

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

D-Leucine, N-[[[(2R,3R)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl](phenylmethyl)amino]carbonyl]-, methyl ester [ACD/Index Name]
methyl N-(benzyl{(2R,3R)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}carbamoyl)-D-leucinate
Methyl N-{benzyl[(2R,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucinate [ACD/IUPAC Name]
Methyl-N-{benzyl[(2R,3R)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutyl]carbamoyl}-D-leucinat [German] [ACD/IUPAC Name]
N-{Benzyl[(2R,3R)-2-hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutyl]carbamoyl}-D-leucinate de méthyle [French] [ACD/IUPAC Name]
(R)-methyl 2-(3-benzyl-3-((2R,3R)-3-(tert-butoxycarbonyl)-2-hydroxy-4-phenylbutyl)ureido)-4-methylpentanoate
CHEMBL222226

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

Density: 1.1±0.1 g/cm3
Boiling Point: 721.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 390.2±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.42
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4138.53
ACD/KOC (pH 5.5): 13506.16
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4137.81
ACD/KOC (pH 7.4): 13503.81
Polar Surface Area: 117 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 475.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement