ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-D-alanyl-L-phenylalanyl-N~6~-[(benzyloxy)carbonyl]-N-[2-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-L-lysinamide | C42H56N6O9

N-[(Benzyloxy)carbonyl]-D-alanyl-L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N-[2-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-L-lysinamide

  • Molecular FormulaC42H56N6O9
  • Average mass788.929 Da
  • Monoisotopic mass788.410889 Da
  • ChemSpider ID8875817

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Lysinamide, N-[(phenylmethoxy)carbonyl]-D-alanyl-L-phenylalanyl-N-[2-[[(1,1-dimethylethoxy)carbonyl]methylamino]ethyl]-N6-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-D-alanyl-L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N-[2-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-L-lysinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-D-alanyl-L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N-[2-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-L-lysinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-D-alanyl-L-phénylalanyl-N6-[(benzyloxy)carbonyl]-N-[2-(méthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-L-lysinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1015.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.5±3.0 kJ/mol
Flash Point: 567.6±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 213.7±0.3 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 4
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 2998.35
ACD/KOC (pH 5.5): 10716.92
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 2997.81
ACD/KOC (pH 7.4): 10714.99
Polar Surface Area: 194 Å2
Polarizability: 84.7±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 661.1±3.0 cm3

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