ChemSpider 2D Image | CATHEPSIN L INHIBITOR VI | C41H49N7O4S

CATHEPSIN L INHIBITOR VI

  • Molecular FormulaC41H49N7O4S
  • Average mass735.937 Da
  • Monoisotopic mass735.356689 Da
  • ChemSpider ID8094030

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

478164-48-6 [RN]
CATHEPSIN L INHIBITOR VI
L-Phenylalaninamide, N-(2-[1,1'-biphenyl]-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)- [ACD/Index Name]
N-(4-Biphenylylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-(4-Biphenylylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide [ACD/IUPAC Name]
N-(Biphenyl-4-Ylacetyl)-S-Methyl-L-Cysteinyl-D-Arginyl-N-(2-Phenylethyl)-L-Phenylalaninamide
N-[2-(4-Biphénylyl)acétyl]-S-méthyl-L-cystéinyl-D-arginyl-N-(2-phényléthyl)-L-phénylalaninamide [French] [ACD/IUPAC Name]
(2R)-5-(diaminomethylideneamino)-2-[[(2R)-3-methylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-N-[(2S)-1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
4-biphenylac-cys(me)-d-arg-phe-(2-phenylethyl)amide

    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: 1.627
    Molar Refractivity: 211.5±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 8
    #Freely Rotating Bonds: 20
    #Rule of 5 Violations: 4
    ACD/LogP: 5.97
    ACD/LogD (pH 5.5): 1.93
    ACD/BCF (pH 5.5): 5.73
    ACD/KOC (pH 5.5): 32.77
    ACD/LogD (pH 7.4): 1.93
    ACD/BCF (pH 7.4): 5.73
    ACD/KOC (pH 7.4): 32.77
    Polar Surface Area: 206 Å2
    Polarizability: 83.8±0.5 10-24cm3
    Surface Tension: 51.2±7.0 dyne/cm
    Molar Volume: 596.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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