ChemSpider 2D Image | 2-Methyl-2-propanyl N-{(2S)-2-[(2S)-1-{N-[(benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl]-2-hydroxyacetyl}-D-phenylalaninate | C36H43N3O7

2-Methyl-2-propanyl N-{(2S)-2-[(2S)-1-{N-[(benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl]-2-hydroxyacetyl}-D-phenylalaninate

  • Molecular FormulaC36H43N3O7
  • Average mass629.742 Da
  • Monoisotopic mass629.310120 Da
  • ChemSpider ID8874546

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-{(2S)-2-[(2S)-1-{N-[(benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl]-2-hydroxyacetyl}-D-phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{(2S)-2-[(2S)-1-{N-[(benzyloxy)carbonyl]-L-phenylalanyl}-2-pyrrolidinyl]-2-hydroxyacetyl}-D-phenylalaninat [German] [ACD/IUPAC Name]
D-Phenylalanine, N-[(2S)-2-hydroxy-2-[(2S)-1-[(2S)-1-oxo-3-phenyl-2-[[(phenylmethoxy)carbonyl]amino]propyl]-2-pyrrolidinyl]acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{(2S)-2-[(2S)-1-{N-[(Benzyloxy)carbonyl]-L-phénylalanyl}-2-pyrrolidinyl]-2-hydroxyacétyl}-D-phénylalaninate de 2-méthyl-2-propanyle [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: 841.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.2±3.0 kJ/mol
Flash Point: 463.0±34.3 °C
Index of Refraction: 1.586
Molar Refractivity: 172.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.38
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5203.61
ACD/KOC (pH 5.5): 15911.94
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5202.67
ACD/KOC (pH 7.4): 15909.07
Polar Surface Area: 134 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 513.8±3.0 cm3

Click to predict properties on the Chemicalize site


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