ChemSpider 2D Image | L-Cysteinyl-N-[(2S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}-1-oxo-4-phenyl-2-butanyl]-L-valinamide | C23H36N4O5S2

L-Cysteinyl-N-[(2S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}-1-oxo-4-phenyl-2-butanyl]-L-valinamide

  • Molecular FormulaC23H36N4O5S2
  • Average mass512.686 Da
  • Monoisotopic mass512.212708 Da
  • ChemSpider ID24681423

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Cysteinyl-N-[(2S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}-1-oxo-4-phenyl-2-butanyl]-L-valinamid [German] [ACD/IUPAC Name]
L-Cysteinyl-N-[(2S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]amino}-1-oxo-4-phenyl-2-butanyl]-L-valinamide [ACD/IUPAC Name]
L-Cystéinyl-N-[(2S)-1-{[(1S)-1-carboxy-3-(méthylsulfanyl)propyl]amino}-1-oxo-4-phényl-2-butanyl]-L-valinamide [French] [ACD/IUPAC Name]
L-Valinamide, L-cysteinyl-N-[(1S)-1-[[[(1S)-1-carboxy-3-(methylthio)propyl]amino]carbonyl]-3-phenylpropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 851.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 129.7±3.0 kJ/mol
Flash Point: 468.9±34.3 °C
Index of Refraction: 1.573
Molar Refractivity: 137.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 415.9±3.0 cm3

Click to predict properties on the Chemicalize site


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