ChemSpider 2D Image | N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]glycylglycyl-S-benzyl-L-cysteine | C28H31N3O8S

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

  • Molecular FormulaC28H31N3O8S
  • Average mass569.626 Da
  • Monoisotopic mass569.183167 Da
  • ChemSpider ID17470952

  • defined stereocentres - 1 of 1 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]glycylglycyl-S-(phenylmethyl)- [ACD/Index Name]
N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]glycylglycyl-S-benzyl-L-cystein [German] [ACD/IUPAC Name]
N-[(7-Methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]glycylglycyl-S-benzyl-L-cysteine [ACD/IUPAC Name]
N-[2-(7-Méthoxy-4,8-diméthyl-2-oxo-2H-chromén-3-yl)acétyl]glycylglycyl-S-benzyl-L-cystéine [French] [ACD/IUPAC Name]
(2R)-3-benzylsulfanyl-2-[[2-[[2-[[2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
956921-43-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 938.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 143.0±3.0 kJ/mol
    Flash Point: 521.1±34.3 °C
    Index of Refraction: 1.600
    Molar Refractivity: 147.2±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 4
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 3.53
    ACD/LogD (pH 5.5): -0.62
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.67
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 185 Å2
    Polarizability: 58.4±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 430.5±3.0 cm3

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