ChemSpider 2D Image | N-{[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}glycyl-N-(tetrahydro-2-furanylmethyl)-L-isoleucinamide | C28H37N3O7

N-{[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}glycyl-N-(tetrahydro-2-furanylmethyl)-L-isoleucinamide

  • Molecular FormulaC28H37N3O7
  • Average mass527.609 Da
  • Monoisotopic mass527.263123 Da
  • ChemSpider ID22881951

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Isoleucinamide, N-[2-[(1,2,3,4-tetrahydro-6-methyl-4-oxobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl]glycyl-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
N-{[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}glycyl-N-(tetrahydro-2-furanylmethyl)-L-isoleucinamid [German] [ACD/IUPAC Name]
N-{[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}glycyl-N-(tetrahydro-2-furanylmethyl)-L-isoleucinamide [ACD/IUPAC Name]
N-{2-[(6-Méthyl-4-oxo-1,2,3,4-tétrahydrocyclopenta[c]chromén-7-yl)oxy]acétyl}glycyl-N-(tétrahydro-2-furanylméthyl)-L-isoleucinamide [French] [ACD/IUPAC Name]
(2S,3S)-3-methyl-2-[[2-[[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetyl]amino]acetyl]amino]-N-(oxolan-2-ylmethyl)pentanamide
1014063-59-2 [RN]
AKOS005539058
MCULE-5394485759
MolPort-002-665-913
N-{[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]acetyl}glycyl-N-(tetrahydrofuran-2-ylmethyl)-L-isoleucinamide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 870.8±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 126.6±3.0 kJ/mol
    Flash Point: 480.4±34.3 °C
    Index of Refraction: 1.584
    Molar Refractivity: 138.5±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 3.03
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 82.67
    ACD/KOC (pH 5.5): 820.47
    ACD/LogD (pH 7.4): 2.83
    ACD/BCF (pH 7.4): 82.67
    ACD/KOC (pH 7.4): 820.45
    Polar Surface Area: 132 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 56.1±5.0 dyne/cm
    Molar Volume: 413.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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