ChemSpider 2D Image | N-[7-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)heptyl]-Nalpha-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-O-(4-pyridinylmethyl)-L-tyrosinamide | C40H61N5O7

N-[7-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)heptyl]-Nα-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-O-(4-pyridinylmethyl)-L-tyrosinamide

  • Molecular FormulaC40H61N5O7
  • Average mass723.942 Da
  • Monoisotopic mass723.457092 Da
  • ChemSpider ID8946490

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[7-[[(2S)-2-[[[4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]cyclohexyl]carbonyl]amino]-1-oxo-3-[4-(4-pyridinylmethoxy)phenyl]propyl]amino]heptyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[7-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)heptyl]-Nα-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-O-(4-pyridinylmethyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
N-[7-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)heptyl]-Nα-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-O-(4-pyridinylmethyl)-L-tyrosinamide [ACD/IUPAC Name]
N-[7-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)heptyl]-Nα-({4-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]cyclohexyl}carbonyl)-O-(4-pyridinylméthyl)-L-tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 910.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.4±3.0 kJ/mol
Flash Point: 504.3±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 201.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: 6.12
ACD/LogD (pH 5.5): 6.42
ACD/BCF (pH 5.5): 42276.88
ACD/KOC (pH 5.5): 66308.24
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 54196.25
ACD/KOC (pH 7.4): 85002.82
Polar Surface Area: 157 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 650.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement