ChemSpider 2D Image | 2-Methyl-2-propanyl N-(phenoxyacetyl)-D-phenylalanyl-D-alanyl-L-leucinate | C30H41N3O6

2-Methyl-2-propanyl N-(phenoxyacetyl)-D-phenylalanyl-D-alanyl-L-leucinate

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID24600593

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-(phenoxyacetyl)-D-phenylalanyl-D-alanyl-L-leucinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-(phenoxyacetyl)-D-phenylalanyl-D-alanyl-L-leucinat [German] [ACD/IUPAC Name]
L-Leucine, N-(2-phenoxyacetyl)-D-phenylalanyl-D-alanyl-, 1,1-dimethylethyl ester [ACD/Index Name]
N-(2-Phénoxyacétyl)-D-phénylalanyl-D-alanyl-L-leucinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(S)-tert-butyl 4-methyl-2-((R)-2-((R)-2-(2-phenoxyacetamido)-3-phenylpropanamido)propanamido)pentanoate
1491139-30-0 [RN]
TERT-BUTYL (2S)-4-METHYL-2-[(2R)-2-[(2R)-2-(2-PHENOXYACETAMIDO)-3-PHENYLPROPANAMIDO]PROPANAMIDO]PENTANOATE
tert-butyl (2S)-4-methyl-2-[[(2R)-2-[[(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]propanoyl]amino]pentanoate

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 776.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.0±3.0 kJ/mol
    Flash Point: 423.4±32.9 °C
    Index of Refraction: 1.535
    Molar Refractivity: 148.6±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 2
    ACD/LogP: 5.91
    ACD/LogD (pH 5.5): 4.28
    ACD/BCF (pH 5.5): 1044.01
    ACD/KOC (pH 5.5): 5039.50
    ACD/LogD (pH 7.4): 4.28
    ACD/BCF (pH 7.4): 1044.00
    ACD/KOC (pH 7.4): 5039.47
    Polar Surface Area: 123 Å2
    Polarizability: 58.9±0.5 10-24cm3
    Surface Tension: 42.7±3.0 dyne/cm
    Molar Volume: 477.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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