ChemSpider 2D Image | 2-Methyl-2-propanyl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosyl-3-(methyl{2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]ethyl}amino)-D-alanylglycinate | C50H64N6O10

2-Methyl-2-propanyl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosyl-3-(methyl{2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]ethyl}amino)-D-alanylglycinate

  • Molecular FormulaC50H64N6O10
  • Average mass909.077 Da
  • Monoisotopic mass908.468384 Da
  • ChemSpider ID9018725
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-Methyl-2-propanyl O-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosyl-3-(methyl{2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]ethyl}amino)-D-alanylglycinate [ACD/IUPAC Name]
2-Methyl-2-propanylO-benzyl-N-[(benzyloxy)carbonyl]-L-tyrosyl-3-(methyl{2-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]ethyl}amino)-D-alanylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(phenylmethoxy)carbonyl]-O-(phenylmethyl)-L-tyrosyl-3-[[2-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]ethyl]methylamino]-D-alanyl-, 1,1-dimethylethyl ester [ACD/Index Name]
O-Benzyl-N-[(benzyloxy)carbonyl]-L-tyrosyl-3-(méthyl{2-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)amino]éthyl}amino)-D-alanylglycinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 1068.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.0±3.0 kJ/mol
Flash Point: 600.1±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 249.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 4
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 332.40
ACD/KOC (pH 5.5): 454.55
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 16951.35
ACD/KOC (pH 7.4): 23180.55
Polar Surface Area: 203 Å2
Polarizability: 98.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 762.4±3.0 cm3

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