ChemSpider 2D Image | N,2-Dimethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-formamido-2-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-tryptophanamide | C42H56N6O9

N,2-Dimethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-formamido-2-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-tryptophanamide

  • Molecular FormulaC42H56N6O9
  • Average mass788.929 Da
  • Monoisotopic mass788.410889 Da
  • ChemSpider ID9258435

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Tryptophanamide, N-[(1,1-dimethylethoxy)carbonyl]-N,2-dimethylalanyl-1-[(1,1-dimethylethoxy)carbonyl]-N-[(1R)-2-[1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1-(formylamino)ethyl]- [ACD/Index Name]
N,2-Dimethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-formamido-2-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-tryptophanamid [German] [ACD/IUPAC Name]
N,2-Dimethyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-formamido-2-(1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)ethyl]-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-tryptophanamide [ACD/IUPAC Name]
N,2-Diméthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-formamido-2-(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1H-indol-3-yl)éthyl]-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-D-tryptophaneamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.576
Molar Refractivity: 216.1±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 8.35
ACD/LogD (pH 5.5): 6.77
ACD/BCF (pH 5.5): 81709.13
ACD/KOC (pH 5.5): 114230.77
ACD/LogD (pH 7.4): 6.77
ACD/BCF (pH 7.4): 81708.49
ACD/KOC (pH 7.4): 114229.90
Polar Surface Area: 179 Å2
Polarizability: 85.7±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 653.2±7.0 cm3

Click to predict properties on the Chemicalize site


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