ChemSpider 2D Image | N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-piperidinyl]carbonyl}-L-valine | C27H38N4O6

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

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID17465893

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Valine, N-[[1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-4-piperidinyl]carbonyl]- [ACD/Index Name]
N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-piperidinyl]carbonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-piperidinyl]carbonyl}-L-valine [ACD/IUPAC Name]
N-{[1-(N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-pipéridinyl]carbonyl}-L-valine [French] [ACD/IUPAC Name]
(2S)-2-({1-[(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(1H-INDOL-3-YL)PROPANOYL]PIPERIDIN-4-YL}FORMAMIDO)-3-METHYLBUTANOIC ACID
(2S)-2-({1-[(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(1H-INDOL-3-YL)PROPANOYL]PIPERIDIN-4-YL}FORMAMIDO)-3-METHYLBUTANOIC ACID
(2S)-2-[[1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid
956958-00-2 [RN]
MCULE-8551097386
MolPort-002-523-277
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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: 813.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 124.0±3.0 kJ/mol
    Flash Point: 445.7±34.3 °C
    Index of Refraction: 1.582
    Molar Refractivity: 138.5±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 3.09
    ACD/LogD (pH 5.5): 0.88
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.99
    ACD/LogD (pH 7.4): -0.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 141 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 55.0±3.0 dyne/cm
    Molar Volume: 415.1±3.0 cm3

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