ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allylglycyl-L-isoleucyl-L-valinate | C31H48N4O7

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

  • Molecular FormulaC31H48N4O7
  • Average mass588.735 Da
  • Monoisotopic mass588.352295 Da
  • ChemSpider ID411856

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Valine, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-2-propen-1-ylglycyl-L-isoleucyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allylglycyl-L-isoleucyl-L-valinate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-allylglycyl-L-isoleucyl-L-valinat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-allylglycyl-L-isoleucyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
Boc-P-(N-propenyl)-G-I-V-OMe
Boc-Phe-(N-propenyl)-Gly-Ile-Val-OMe

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

AIDS058813 [DBID]
AIDS-058813 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 765.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 416.4±32.9 °C
Index of Refraction: 1.515
Molar Refractivity: 160.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 447.07
ACD/KOC (pH 5.5): 2746.26
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 447.00
ACD/KOC (pH 7.4): 2745.85
Polar Surface Area: 143 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 41.1±3.0 dyne/cm
Molar Volume: 531.0±3.0 cm3

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