ChemSpider 2D Image | Ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate | C28H35N3O6

Ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate

  • Molecular FormulaC28H35N3O6
  • Average mass509.594 Da
  • Monoisotopic mass509.252594 Da
  • ChemSpider ID35035958
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R)-4-({N-[(Benzyloxy)carbonyl]-L-phénylalanyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinepentanoic acid, 2-oxo-γ-[[(2S)-1-oxo-3-phenyl-2-[[(phenylmethoxy)carbonyl]amino]propyl]amino]-, ethyl ester, (γR,3S)- [ACD/Index Name]
Ethyl (4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate [ACD/IUPAC Name]
Ethyl (4r)-4-({n-[(Benzyloxy)carbonyl]-L-Phenylalanyl}amino)-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate
Ethyl-(4R)-4-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 775.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 422.9±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 2.22
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.89
ACD/KOC (pH 5.5): 1487.83
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.82
ACD/KOC (pH 7.4): 1487.31
Polar Surface Area: 123 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 427.8±3.0 cm3

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