ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allyl-L-alanyl-L-isoleucyl-L-valinate | C32H50N4O7

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allyl-L-alanyl-L-isoleucyl-L-valinate

  • Molecular FormulaC32H50N4O7
  • Average mass602.762 Da
  • Monoisotopic mass602.367920 Da
  • ChemSpider ID26638351

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(S)-2-((S)-2-{(S)-2-[Allyl-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionyl)-amino]-propionylamino}-3-methyl-pentanoylamino)-3-methyl-butyric acid methyl ester
L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-2-propen-1-yl-L-alanyl-L-isoleucyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allyl-L-alanyl-L-isoleucyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allyl-L-alanyl-L-isoleucyl-L-valinat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-allyl-L-alanyl-L-isoleucyl-L-valinate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 768.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.6±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 164.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 6.22
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 694.46
ACD/KOC (pH 5.5): 3764.04
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 694.36
ACD/KOC (pH 7.4): 3763.50
Polar Surface Area: 143 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 547.8±3.0 cm3

Click to predict properties on the Chemicalize site


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