ChemSpider 2D Image | N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-isoleucyl)-4-piperidinyl]carbonyl}-L-tyrosine | C26H39N3O7

N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-isoleucyl)-4-piperidinyl]carbonyl}-L-tyrosine

  • Molecular FormulaC26H39N3O7
  • Average mass505.604 Da
  • Monoisotopic mass505.278809 Da
  • ChemSpider ID17466371

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Tyrosine, N-[[1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl-1-oxopentyl]-4-piperidinyl]carbonyl]- [ACD/Index Name]
N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-isoleucyl)-4-piperidinyl]carbonyl}-L-tyrosin [German] [ACD/IUPAC Name]
N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-isoleucyl)-4-piperidinyl]carbonyl}-L-tyrosine [ACD/IUPAC Name]
N-{[1-(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-isoleucyl)-4-pipéridinyl]carbonyl}-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-2-(1-((2S)-2-((tert-butoxycarbonyl)amino)-3-methylpentanoyl)piperidine-4-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
956955-54-7 [RN]
SPS-148229

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 762.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.5±3.0 kJ/mol
    Flash Point: 414.9±32.9 °C
    Index of Refraction: 1.548
    Molar Refractivity: 132.7±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 2.84
    ACD/LogD (pH 5.5): 0.34
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.81
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 145 Å2
    Polarizability: 52.6±0.5 10-24cm3
    Surface Tension: 51.7±3.0 dyne/cm
    Molar Volume: 417.6±3.0 cm3

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