ChemSpider 2D Image | 6-Ethyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate | C30H39N3O8S

6-Ethyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate

  • Molecular FormulaC30H39N3O8S
  • Average mass601.711 Da
  • Monoisotopic mass601.245789 Da
  • ChemSpider ID48065600

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

6-Ethyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate [ACD/IUPAC Name]
6-Ethyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxo-4H-chromen-7-yl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 2-[(1S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-6-ethyl-3-(4-methyl-2-thiazolyl)-4-oxo-4H-1-benzopyran-7-yl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alaninate de 6-éthyl-2-[(1S)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-3-(4-méthyl-1,3-thiazol-2-yl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
(S)-2-((S)-1-((tert-butoxycarbonyl)amino)ethyl)-6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)propanoate
[6-ethyl-2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
364062-57-7 [RN]
MolPort-029-884-868

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.556
    Molar Refractivity: 157.2±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 3
    ACD/LogP: 6.13
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4225.40
    ACD/KOC (pH 5.5): 13706.28
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4226.61
    ACD/KOC (pH 7.4): 13710.22
    Polar Surface Area: 170 Å2
    Polarizability: 62.3±0.5 10-24cm3
    Surface Tension: 48.4±3.0 dyne/cm
    Molar Volume: 488.9±3.0 cm3

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