ChemSpider 2D Image | N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-methionine | C28H43N3O6S

N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-methionine

  • Molecular FormulaC28H43N3O6S
  • Average mass549.722 Da
  • Monoisotopic mass549.287231 Da
  • ChemSpider ID17470560

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Methionine, N-[[1-[(1,1-dimethylethoxy)carbonyl]-4-phenyl-4-piperidinyl]carbonyl]-L-leucyl- [ACD/Index Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-methionin [German] [ACD/IUPAC Name]
N-[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-4-phenyl-4-piperidinyl)carbonyl]-L-leucyl-L-methionine [ACD/IUPAC Name]
N-[(1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-4-phényl-4-pipéridinyl)carbonyl]-L-leucyl-L-méthionine [French] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-({1-[(TERT-BUTOXY)CARBONYL]-4-PHENYLPIPERIDIN-4-YL}FORMAMIDO)-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID
(2S)-2-[(2S)-2-{[1-(TERT-BUTOXYCARBONYL)-4-PHENYLPIPERIDIN-4-YL]FORMAMIDO}-4-METHYLPENTANAMIDO]-4-(METHYLSULFANYL)BUTANOIC ACID
(S)-2-((S)-2-(1-(tert-butoxycarbonyl)-4-phenylpiperidine-4-carboxamido)-4-methylpentanamido)-4-(methylthio)butanoic acid
956908-51-3 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 774.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.3±3.0 kJ/mol
    Flash Point: 422.2±32.9 °C
    Index of Refraction: 1.545
    Molar Refractivity: 148.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 1
    ACD/LogP: 4.56
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 2.96
    ACD/KOC (pH 5.5): 14.97
    ACD/LogD (pH 7.4): 0.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 150 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 48.5±3.0 dyne/cm
    Molar Volume: 468.1±3.0 cm3

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