ChemSpider 2D Image | N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-4-(cyclohexylsulfonyl)-3-hydroxy-2-butanyl]-L-histidinamide | C36H55N5O7S

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-4-(cyclohexylsulfonyl)-3-hydroxy-2-butanyl]-L-histidinamide

  • Molecular FormulaC36H55N5O7S
  • Average mass701.916 Da
  • Monoisotopic mass701.382202 Da
  • ChemSpider ID34227693

  • defined stereocentres - 4 of 4 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,2R)-1-(cyclohexylmethyl)-3-(cyclohexylsulfonyl)-2-hydroxypropyl]- [ACD/Index Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-4-(cyclohexylsulfonyl)-3-hydroxy-2-butanyl]-L-histidinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-phenylalanyl-N-[(2S,3R)-1-cyclohexyl-4-(cyclohexylsulfonyl)-3-hydroxy-2-butanyl]-L-histidinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanyl-N-[(2S,3R)-1-cyclohexyl-4-(cyclohexylsulfonyl)-3-hydroxy-2-butanyl]-L-histidinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1015.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 155.3±3.0 kJ/mol
Flash Point: 567.7±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 187.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 4
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 80.46
ACD/KOC (pH 5.5): 307.75
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1696.98
ACD/KOC (pH 7.4): 6490.45
Polar Surface Area: 188 Å2
Polarizability: 74.3±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 561.4±5.0 cm3

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