ChemSpider 2D Image | N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]norleucyl-S-benzyl-L-cysteine | C30H36N2O7S

N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]norleucyl-S-benzyl-L-cysteine

  • Molecular FormulaC30H36N2O7S
  • Average mass568.681 Da
  • Monoisotopic mass568.224304 Da
  • ChemSpider ID17471204

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

L-Cysteine, N-[2-(7-methoxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)acetyl]norleucyl-S-(phenylmethyl)- [ACD/Index Name]
N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]norleucyl-S-benzyl-L-cystein [German] [ACD/IUPAC Name]
N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]norleucyl-S-benzyl-L-cysteine [ACD/IUPAC Name]
N-[2-(7-Méthoxy-4,8-diméthyl-2-oxo-2H-chromén-3-yl)acétyl]norleucyl-S-benzyl-L-cystéine [French] [ACD/IUPAC Name]
(2R)-3-benzylsulfanyl-2-[2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]hexanoylamino]propanoic acid

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 839.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 127.8±3.0 kJ/mol
    Flash Point: 461.4±34.3 °C
    Index of Refraction: 1.582
    Molar Refractivity: 152.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 6.09
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 6.19
    ACD/KOC (pH 5.5): 22.98
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.01
    Polar Surface Area: 156 Å2
    Polarizability: 60.6±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 457.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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