ChemSpider 2D Image | L-gamma-Glutamyl-S-[(1R,2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]-L-cysteinylglycine | C27H30ClFN6O7S

L-γ-Glutamyl-S-[(1R,2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]-L-cysteinylglycine

  • Molecular FormulaC27H30ClFN6O7S
  • Average mass637.080 Da
  • Monoisotopic mass636.156921 Da
  • ChemSpider ID95600702

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Glycine, L-γ-glutamyl-S-[(1S,2R)-2-(2-chlorophenyl)-1-(4-fluorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl]-L-cysteinyl- [ACD/Index Name]
L-γ-Glutamyl-S-[(1R,2S)-1-(2-chlorophenyl)-2-(4-fluorophenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]-L-cysteinylglycine [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(1R,2S)-1-(2-chlorophényl)-2-(4-fluorophényl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]-L-cystéinylglycine [French] [ACD/IUPAC Name]
L-γ-Glutamyl-S-[(1R,2S)-1-(2-chlorphenyl)-2-(4-fluorphenyl)-1-hydroxy-3-(1H-1,2,4-triazol-1-yl)-2-propanyl]-L-cysteinylglycin [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.666
Molar Refractivity: 156.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 2.05
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 420.2±7.0 cm3

Click to predict properties on the Chemicalize site


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