ChemSpider 2D Image | Methyl N-[{3-[(2-cyanoethyl){[(2S)-1-methoxy-3-methyl-1-oxo-2-butanyl]carbamoyl}amino]propyl}(phenyl)carbamoyl]-D-phenylalaninate | C30H39N5O6

Methyl N-[{3-[(2-cyanoethyl){[(2S)-1-methoxy-3-methyl-1-oxo-2-butanyl]carbamoyl}amino]propyl}(phenyl)carbamoyl]-D-phenylalaninate

  • Molecular FormulaC30H39N5O6
  • Average mass565.661 Da
  • Monoisotopic mass565.290039 Da
  • ChemSpider ID28494568

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Phenylalanine, N-[(9S)-6-(2-cyanoethyl)-9-(1-methylethyl)-1,7,10-trioxo-2-phenyl-11-oxa-2,6,8-triazadodec-1-yl]-, methyl ester [ACD/Index Name]
Methyl N-[{3-[(2-cyanoethyl){[(2S)-1-methoxy-3-methyl-1-oxo-2-butanyl]carbamoyl}amino]propyl}(phenyl)carbamoyl]-D-phenylalaninate [ACD/IUPAC Name]
Methyl-N-[{3-[(2-cyanethyl){[(2S)-1-methoxy-3-methyl-1-oxo-2-butanyl]carbamoyl}amino]propyl}(phenyl)carbamoyl]-D-phenylalaninat [German] [ACD/IUPAC Name]
N-[{3-[(2-Cyanoéthyl){[(2S)-1-méthoxy-3-méthyl-1-oxo-2-butanyl]carbamoyl}amino]propyl}(phényl)carbamoyl]-D-phénylalaninate de méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 801.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.5±3.0 kJ/mol
Flash Point: 438.3±34.3 °C
Index of Refraction: 1.563
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.91
ACD/BCF (pH 5.5): 550.08
ACD/KOC (pH 5.5): 3185.65
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 549.71
ACD/KOC (pH 7.4): 3183.52
Polar Surface Area: 141 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 472.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement