ChemSpider 2D Image | Methyl N-benzyl-N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]glycyl-L-methioninate | C26H43N3O5S

Methyl N-benzyl-N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]glycyl-L-methioninate

  • Molecular FormulaC26H43N3O5S
  • Average mass509.702 Da
  • Monoisotopic mass509.292328 Da
  • ChemSpider ID8800872

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Methionine, N-[(2S,3S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methylpentyl]-N-(phenylmethyl)glycyl-, methyl ester [ACD/Index Name]
Methyl N-benzyl-N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]glycyl-L-methioninate [ACD/IUPAC Name]
Methyl-N-benzyl-N-[(2S,3S)-3-methyl-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)pentyl]glycyl-L-methioninat [German] [ACD/IUPAC Name]
N-Benzyl-N-[(2S,3S)-3-méthyl-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)pentyl]glycyl-L-méthioninate de méthyle [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: 645.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.1±31.5 °C
Index of Refraction: 1.523
Molar Refractivity: 141.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 664.56
ACD/KOC (pH 5.5): 2286.92
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3262.23
ACD/KOC (pH 7.4): 11226.21
Polar Surface Area: 122 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 463.5±3.0 cm3

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