ChemSpider 2D Image | Methyl N-{[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-O-methyl-L-tyrosinate | C30H39N5O6

Methyl N-{[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-O-methyl-L-tyrosinate

  • Molecular FormulaC30H39N5O6
  • Average mass565.661 Da
  • Monoisotopic mass565.290039 Da
  • ChemSpider ID5503330

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Tyrosine, N-[[(2R)-1-[(cyclohexylamino)carbonyl]-4-[(phenylamino)carbonyl]-2-piperazinyl]carbonyl]-O-methyl-, methyl ester [ACD/Index Name]
Methyl N-{[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-O-methyl-L-tyrosinate [ACD/IUPAC Name]
Methyl-N-{[(2R)-1-(cyclohexylcarbamoyl)-4-(phenylcarbamoyl)-2-piperazinyl]carbonyl}-O-methyl-L-tyrosinat [German] [ACD/IUPAC Name]
N-{[(2R)-1-(Cyclohexylcarbamoyl)-4-(phénylcarbamoyl)-2-pipérazinyl]carbonyl}-O-méthyl-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]

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

ZINC04277848 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 862.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 475.2±34.3 °C
Index of Refraction: 1.613
Molar Refractivity: 153.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 194.45
ACD/KOC (pH 5.5): 1513.33
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 194.45
ACD/KOC (pH 7.4): 1513.33
Polar Surface Area: 129 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 440.7±5.0 cm3

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