ChemSpider 2D Image | N-Acetyl-L-threonyl-L-valyl-3-cyclohexyl-N-[(2S)-1-(1H-imidazol-4-yl)-3-oxo-2-propanyl]-L-alaninamide | C26H42N6O6

N-Acetyl-L-threonyl-L-valyl-3-cyclohexyl-N-[(2S)-1-(1H-imidazol-4-yl)-3-oxo-2-propanyl]-L-alaninamide

  • Molecular FormulaC26H42N6O6
  • Average mass534.648 Da
  • Monoisotopic mass534.316589 Da
  • ChemSpider ID28482008

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Alaninamide, N-acetyl-L-threonyl-L-valyl-3-cyclohexyl-N-[(1S)-1-formyl-2-(1H-imidazol-4-yl)ethyl]- [ACD/Index Name]
N-Acetyl-L-threonyl-L-valyl-3-cyclohexyl-N-[(2S)-1-(1H-imidazol-4-yl)-3-oxo-2-propanyl]-L-alaninamid [German] [ACD/IUPAC Name]
N-Acetyl-L-threonyl-L-valyl-3-cyclohexyl-N-[(2S)-1-(1H-imidazol-4-yl)-3-oxo-2-propanyl]-L-alaninamide [ACD/IUPAC Name]
N-Acétyl-L-thréonyl-L-valyl-3-cyclohexyl-N-[(2S)-1-(1H-imidazol-4-yl)-3-oxo-2-propanyl]-L-alaninamide [French] [ACD/IUPAC Name]

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

CCRIS 8681 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 949.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 527.8±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.74
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 3.40
ACD/KOC (pH 7.4): 78.07
Polar Surface Area: 182 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 444.7±3.0 cm3

Click to predict properties on the Chemicalize site


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