ChemSpider 2D Image | N-(Tert-Butoxycarbonyl)-L-Phenylalanyl-N-[(2s,3s,5r)-1-Cyclohexyl-3-Hydroxy-7-Methyl-5-(Methylcarbamoyl)octan-2-Yl]-L-Histidinamide | C37H58N6O6

N-(Tert-Butoxycarbonyl)-L-Phenylalanyl-N-[(2s,3s,5r)-1-Cyclohexyl-3-Hydroxy-7-Methyl-5-(Methylcarbamoyl)octan-2-Yl]-L-Histidinamide

  • Molecular FormulaC37H58N6O6
  • Average mass682.893 Da
  • Monoisotopic mass682.441772 Da
  • ChemSpider ID4883426

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Histidinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl-N-[(1S,2S,4R)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-[(methylamino)carbonyl]heptyl]- [ACD/Index Name]
N-(Tert-Butoxycarbonyl)-L-Phenylalanyl-N-[(2s,3s,5r)-1-Cyclohexyl-3-Hydroxy-7-Methyl-5-(Methylcarbamoyl)octan-2-Yl]-L-Histidinamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)-2-octanyl]-L-histidinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)-2-octanyl]-L-histidinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-7-méthyl-5-(méthylcarbamoyl)-2-octanyl]-L-histidinamide [French] [ACD/IUPAC Name]
2Y3
NME-CAL-HIS-PHE-BOC

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

Density: 1.1±0.1 g/cm3
Boiling Point: 977.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.3±3.0 kJ/mol
Flash Point: 545.2±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 188.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 136.43
ACD/KOC (pH 5.5): 533.27
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1825.44
ACD/KOC (pH 7.4): 7135.30
Polar Surface Area: 175 Å2
Polarizability: 74.8±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 597.0±3.0 cm3

Click to predict properties on the Chemicalize site


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