ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-L-phenylalaninate | C26H31N3O5

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-L-phenylalaninate

  • Molecular FormulaC26H31N3O5
  • Average mass465.541 Da
  • Monoisotopic mass465.226379 Da
  • ChemSpider ID29361861

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-Methyl 2-[(2'S)-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoate
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-L-phenylalaninat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tryptophyl-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
(S)-methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-(1H-indol-3-yl)propanamido)-3-phenylpropanoate
[72156-62-8] [RN]
72156-62-8 [RN]
BOC-TRP-PHE-OME
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-L-tryptophyl-, methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 706.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 103.4±3.0 kJ/mol
    Flash Point: 381.2±32.9 °C
    Index of Refraction: 1.592
    Molar Refractivity: 129.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 4.55
    ACD/LogD (pH 5.5): 4.05
    ACD/BCF (pH 5.5): 706.82
    ACD/KOC (pH 5.5): 3811.86
    ACD/LogD (pH 7.4): 4.05
    ACD/BCF (pH 7.4): 706.64
    ACD/KOC (pH 7.4): 3810.88
    Polar Surface Area: 110 Å2
    Polarizability: 51.4±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 383.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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