ChemSpider 2D Image | Methyl N-[(2S)-2-amino-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate | C26H35N3O4

Methyl N-[(2S)-2-amino-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate

  • Molecular FormulaC26H35N3O4
  • Average mass453.574 Da
  • Monoisotopic mass453.262756 Da
  • ChemSpider ID32740564

  • 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-amino-1-oxo-4-phenylbutyl]-L-leucyl-, methyl ester [ACD/Index Name]
Methyl N-[(2S)-2-amino-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[(2S)-2-amino-4-phenylbutanoyl]-L-leucyl-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(2S)-2-Amino-4-phénylbutanoyl]-L-leucyl-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
(S)-methyl 2-((S)-2-((S)-2-amino-4-phenylbutanamido)-4-methylpentanamido)-3-phenylpropanoate
868539-98-4 [RN]
CS-14821
L-Phenylalanine, (??S)-??-aminobenzenebutanoyl-L-leucyl-, methyl ester
L-Phenylalanine, (?S)-?-aminobenzenebutanoyl-L-leucyl-, methyl ester
METHYL (2S)-2-[(2S)-2-[(2S)-2-AMINO-4-PHENYLBUTANAMIDO]-4-METHYLPENTANAMIDO]-3-PHENYLPROPANOATE
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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: 680.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.9±3.0 kJ/mol
    Flash Point: 365.6±31.5 °C
    Index of Refraction: 1.552
    Molar Refractivity: 128.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 0
    ACD/LogP: 4.68
    ACD/LogD (pH 5.5): 1.03
    ACD/BCF (pH 5.5): 1.30
    ACD/KOC (pH 5.5): 12.70
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 46.65
    ACD/KOC (pH 7.4): 455.03
    Polar Surface Area: 111 Å2
    Polarizability: 50.9±0.5 10-24cm3
    Surface Tension: 45.5±3.0 dyne/cm
    Molar Volume: 401.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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