ChemSpider 2D Image | O-{[(2-Bromobenzyl)oxy]carbonyl}-Nalpha-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-N-(4-pyridinylmethyl)-L-tyrosinamide | C36H43BrN4O7

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

  • Molecular FormulaC36H43BrN4O7
  • Average mass723.653 Da
  • Monoisotopic mass722.231506 Da
  • ChemSpider ID9017890

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

Carbonic acid, (2-bromophenyl)methyl 4-[(2S)-2-[[[4-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]cyclohexyl]carbonyl]amino]-3-oxo-3-[(4-pyridinylmethyl)amino]propyl]phenyl ester [ACD/Index Name]
O-{[(2-Brombenzyl)oxy]carbonyl}-Nα-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-N-(4-pyridinylmethyl)-L-tyrosinamid [German] [ACD/IUPAC Name]
O-{[(2-Bromobenzyl)oxy]carbonyl}-Nα-({4-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]cyclohexyl}carbonyl)-N-(4-pyridinylmethyl)-L-tyrosinamide [ACD/IUPAC Name]
O-{[(2-Bromobenzyl)oxy]carbonyl}-Nα-({4-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]cyclohexyl}carbonyl)-N-(4-pyridinylméthyl)-L-tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 914.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.1±3.0 kJ/mol
Flash Point: 507.1±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 183.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3264.07
ACD/KOC (pH 5.5): 10335.55
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4578.65
ACD/KOC (pH 7.4): 14498.13
Polar Surface Area: 145 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 553.8±3.0 cm3

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