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ChemSpider 2D Image | Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate | C31H43N3O6

Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate

  • Molecular FormulaC31H43N3O6
  • Average mass553.690 Da
  • Monoisotopic mass553.315186 Da
  • ChemSpider ID35143208

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalanine, N-[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-4-phenylbutyl]-L-leucyl-, methyl ester [ACD/Index Name]
Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(2S)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-4-phénylbutanoyl]-L-leucyl-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
(6S,9S,12S)-Methyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate
868539-96-2 [RN]
Boc-HPh-Leu-Phe-Ome
DS-19279
Ethyl 6-(Methylamino)pyridazine-3-carboxylate
L-Phenylalanine, (??S)-??-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoyl-L-leucyl-, methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 753.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 109.8±3.0 kJ/mol
    Flash Point: 409.4±32.9 °C
    Index of Refraction: 1.534
    Molar Refractivity: 153.2±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 2
    ACD/LogP: 6.59
    ACD/LogD (pH 5.5): 4.82
    ACD/BCF (pH 5.5): 2700.54
    ACD/KOC (pH 5.5): 9950.09
    ACD/LogD (pH 7.4): 4.82
    ACD/BCF (pH 7.4): 2699.69
    ACD/KOC (pH 7.4): 9946.96
    Polar Surface Area: 123 Å2
    Polarizability: 60.8±0.5 10-24cm3
    Surface Tension: 42.8±3.0 dyne/cm
    Molar Volume: 492.8±3.0 cm3

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