ChemSpider 2D Image | 1-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-piperidinyl]carbonyl}-4-phenyl-4-piperidinecarboxylic acid | C34H42N4O6

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

  • Molecular FormulaC34H42N4O6
  • Average mass602.721 Da
  • Monoisotopic mass602.310425 Da
  • ChemSpider ID17465742

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-piperidinyl]carbonyl}-4-phenyl-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{[1-(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-piperidinyl]carbonyl}-4-phenyl-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[1-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-4-piperidinyl]carbonyl]-4-phenyl- [ACD/Index Name]
Acide 1-{[1-(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)-4-pipéridinyl]carbonyl}-4-phényl-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-[1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
1-{1-[(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(1H-INDOL-3-YL)PROPANOYL]PIPERIDINE-4-CARBONYL}-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
1-{1-[(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(1H-INDOL-3-YL)PROPANOYL]PIPERIDINE-4-CARBONYL}-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
956998-13-3 [RN]
MCULE-5917959096
MolPort-000-756-433
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 870.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 132.5±3.0 kJ/mol
    Flash Point: 480.1±34.3 °C
    Index of Refraction: 1.616
    Molar Refractivity: 165.3±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.64
    ACD/LogD (pH 5.5): 3.09
    ACD/BCF (pH 5.5): 62.28
    ACD/KOC (pH 5.5): 277.76
    ACD/LogD (pH 7.4): 1.32
    ACD/BCF (pH 7.4): 1.06
    ACD/KOC (pH 7.4): 4.74
    Polar Surface Area: 132 Å2
    Polarizability: 65.5±0.5 10-24cm3
    Surface Tension: 59.3±3.0 dyne/cm
    Molar Volume: 473.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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