ChemSpider 2D Image | Ethyl (4r)-4-{[n-(Tert-Butoxycarbonyl)-L-Phenylalanyl]amino}-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate | C25H37N3O6

Ethyl (4r)-4-{[n-(Tert-Butoxycarbonyl)-L-Phenylalanyl]amino}-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate

  • Molecular FormulaC25H37N3O6
  • Average mass475.578 Da
  • Monoisotopic mass475.268250 Da
  • ChemSpider ID35035959

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R)-4-[(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinepentanoic acid, γ-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-2-oxo-, ethyl ester, (γR,3S)- [ACD/Index Name]
Ethyl (4R)-4-[(N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]pentanoate [ACD/IUPAC Name]
Ethyl (4r)-4-{[n-(Tert-Butoxycarbonyl)-L-Phenylalanyl]amino}-5-[(3s)-2-Oxopyrrolidin-3-Yl]pentanoate
Ethyl-(4R)-4-[(N-{[(2-methyl-2-propanyl)oxy]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, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 715.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 386.7±32.9 °C
Index of Refraction: 1.520
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.40
ACD/KOC (pH 5.5): 693.78
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.39
ACD/KOC (pH 7.4): 693.63
Polar Surface Area: 123 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 416.6±3.0 cm3

Click to predict properties on the Chemicalize site


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