ChemSpider 2D Image | L-Cysteinyl-L-valyl-L-phenylalanyl-N-methyl-L-methionine | C23H36N4O5S2

L-Cysteinyl-L-valyl-L-phenylalanyl-N-methyl-L-methionine

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID23144456

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Cysteinyl-L-valyl-L-phenylalanyl-N-methyl-L-methionin [German] [ACD/IUPAC Name]
L-Cysteinyl-L-valyl-L-phenylalanyl-N-methyl-L-methionine [ACD/IUPAC Name]
L-Cystéinyl-L-valyl-L-phénylalanyl-N-méthyl-L-méthionine [French] [ACD/IUPAC Name]
L-Methionine, L-cysteinyl-L-valyl-L-phenylalanyl-N-methyl- [ACD/Index Name]
(S)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propionylamino)-3-methyl-butyrylamino]-3-phenyl-propionyl}-methyl-amino)-4-methylsulfanyl-butyric 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: 808.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.18
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 414.3±3.0 cm3

Click to predict properties on the Chemicalize site


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