ChemSpider 2D Image | N-[(2R)-4-Amino-2-{[O-(2-methyl-2-propanyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl]amino}butanoyl]-3-(2-naphthyl)-L-alanyl-D-prolylglycine | C42H56N6O9

N-[(2R)-4-Amino-2-{[O-(2-methyl-2-propanyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl]amino}butanoyl]-3-(2-naphthyl)-L-alanyl-D-prolylglycine

  • Molecular FormulaC42H56N6O9
  • Average mass788.929 Da
  • Monoisotopic mass788.410889 Da
  • ChemSpider ID8660837

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Glycine, N-[(2R)-4-amino-2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-[4-(1,1-dimethylethoxy)phenyl]-1-oxopropyl]amino]-1-oxobutyl]-3-(2-naphthalenyl)-L-alanyl-D-prolyl- [ACD/Index Name]
N-[(2R)-4-Amino-2-{[O-(2-methyl-2-propanyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl]amino}butanoyl]-3-(2-naphthyl)-L-alanyl-D-prolylglycin [German] [ACD/IUPAC Name]
N-[(2R)-4-Amino-2-{[O-(2-methyl-2-propanyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosyl]amino}butanoyl]-3-(2-naphthyl)-L-alanyl-D-prolylglycine [ACD/IUPAC Name]
N-[(2R)-4-Amino-2-{[O-(2-méthyl-2-propanyl)-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tyrosyl]amino}butanoyl]-3-(2-naphtyl)-L-alanyl-D-prolylglycine [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: 1091.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 167.9±3.0 kJ/mol
Flash Point: 614.2±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 213.8±0.3 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 4
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 3.57
ACD/KOC (pH 5.5): 16.80
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 3.50
ACD/KOC (pH 7.4): 16.46
Polar Surface Area: 218 Å2
Polarizability: 84.8±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 634.9±3.0 cm3

Click to predict properties on the Chemicalize site


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