ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-leucylglycinate | C22H33N3O6

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-leucylglycinate

  • Molecular FormulaC22H33N3O6
  • Average mass435.514 Da
  • Monoisotopic mass435.236938 Da
  • ChemSpider ID67178649

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2126144-18-9 [RN]
Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-leucylglycinate [ACD/IUPAC Name]
BenzylN-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-D-leucylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-D-leucyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycyl-D-leucylglycinate de benzyle [French] [ACD/IUPAC Name]
Benzyl 2-[(2R)-2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-4-methylpentanamido]acetate
benzyl 2-[[(2R)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]acetate
MFCD30749375

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 646.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.3±3.0 kJ/mol
    Flash Point: 344.8±30.1 °C
    Index of Refraction: 1.514
    Molar Refractivity: 114.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 3.43
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.43
    ACD/KOC (pH 5.5): 410.59
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.41
    ACD/KOC (pH 7.4): 410.39
    Polar Surface Area: 123 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 42.4±3.0 dyne/cm
    Molar Volume: 381.8±3.0 cm3

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