ChemSpider 2D Image | Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-L-phenylalanyl-L-leucylglycinate | C31H42N4O7

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-L-phenylalanyl-L-leucylglycinate

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID59760633

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-L-phenylalanyl-L-leucylglycinate [ACD/IUPAC Name]
BenzylN-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-L-phenylalanyl-L-leucylglycinat [German] [ACD/IUPAC Name]
Glycine, N-[(1,1-dimethylethoxy)carbonyl]glycyl-L-phenylalanyl-L-leucyl-, phenylmethyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycyl-L-phénylalanyl-L-leucylglycinate de benzyle [French] [ACD/IUPAC Name]
200427-89-0 [RN]
Benzyl 2-[(2S)-2-[(2S)-2-(2-{[(t-butoxy)carbonyl]aminoacetamido)-3-phenylpropanamido]-4-methylpentanamido]acetate (Boc-Gly-L-Phe-L-Leu-Gly-OBzl)
benzyl 2-[(2S)-2-[(2S)-2-(2-{[(tert-butoxy)carbonyl]amino}acetamido)-3-phenylpropanamido]-4-methylpentanamido]acetate
benzyl 2-[(2S)-2-[(2S)-2-{2-[(tert-butoxycarbonyl)amino]acetamido}-3-phenylpropanamido]-4-methylpentanamido]acetate
CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)OCC1=CC=CC=C1
MFCD30749374

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 833.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.1 mmHg at 25°C
    Enthalpy of Vaporization: 121.1±3.0 kJ/mol
    Flash Point: 457.7±34.3 °C
    Index of Refraction: 1.542
    Molar Refractivity: 156.9±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 3
    ACD/LogP: 5.00
    ACD/LogD (pH 5.5): 2.99
    ACD/BCF (pH 5.5): 110.85
    ACD/KOC (pH 5.5): 1012.12
    ACD/LogD (pH 7.4): 2.99
    ACD/BCF (pH 7.4): 110.80
    ACD/KOC (pH 7.4): 1011.62
    Polar Surface Area: 152 Å2
    Polarizability: 62.2±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 498.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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