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

2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-acetamido-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 ID9226199

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-acetamido-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]
2-Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-acetamido-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]
2-Méthyl-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl-N-[(1R)-1-acétamido-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]
D-Tryptophanamide, N-[(1,1-dimethylethoxy)carbonyl]-2-methylalanyl-N-[(1R)-1-(acetylamino)-2-[1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]ethyl]-1-[(1,1-dimethylethoxy)carbonyl]- [ACD/Index 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: 1.580
Molar Refractivity: 215.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.18
ACD/BCF (pH 5.5): 29058.04
ACD/KOC (pH 5.5): 54499.02
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 29022.62
ACD/KOC (pH 7.4): 54432.58
Polar Surface Area: 188 Å2
Polarizability: 85.3±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 647.1±7.0 cm3

Click to predict properties on the Chemicalize site


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