Found 33 results

Search term: MF = 'C_{33}H_{44}N_{6}O_{4}'
ChemSpider 2D Image | 1-Methyl-N-{4-methyl-2-[2-oxo-2-(1-piperidinyl)ethyl]pentanoyl}-L-tryptophyl-3-(2-pyridinyl)-L-alaninamide | C33H44N6O4

1-Methyl-N-{4-methyl-2-[2-oxo-2-(1-piperidinyl)ethyl]pentanoyl}-L-tryptophyl-3-(2-pyridinyl)-L-alaninamide

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID9932802

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Methyl-N-{4-methyl-2-[2-oxo-2-(1-piperidinyl)ethyl]pentanoyl}-L-tryptophyl-3-(2-pyridinyl)-L-alaninamid [German] [ACD/IUPAC Name]
1-Methyl-N-{4-methyl-2-[2-oxo-2-(1-piperidinyl)ethyl]pentanoyl}-L-tryptophyl-3-(2-pyridinyl)-L-alaninamide [ACD/IUPAC Name]
1-Méthyl-N-{4-méthyl-2-[2-oxo-2-(1-pipéridinyl)éthyl]pentanoyl}-L-tryptophyl-3-(2-pyridinyl)-L-alaninamide [French] [ACD/IUPAC Name]
L-Alaninamide, 1-methyl-N-[4-methyl-1-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]pentyl]-L-tryptophyl-3-(2-pyridinyl)- [ACD/Index 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: 931.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.6±3.0 kJ/mol
Flash Point: 517.1±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 166.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.09
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 84.72
ACD/KOC (pH 5.5): 811.34
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.59
ACD/KOC (pH 7.4): 896.29
Polar Surface Area: 139 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 467.7±7.0 cm3

Click to predict properties on the Chemicalize site


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