ChemSpider 2D Image | N-[(2S)-1-{[(2S,3S)-3-Hydroxy-5-oxo-5-{[(2S)-1-oxo-3-phenyl-1-(2-propyn-1-ylamino)-2-propanyl]amino}-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridinecarboxamide | C34H39N5O5

N-[(2S)-1-{[(2S,3S)-3-Hydroxy-5-oxo-5-{[(2S)-1-oxo-3-phenyl-1-(2-propyn-1-ylamino)-2-propanyl]amino}-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridinecarboxamide

  • Molecular FormulaC34H39N5O5
  • Average mass597.704 Da
  • Monoisotopic mass597.295105 Da
  • ChemSpider ID24677828

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-[(2S)-1-{[(2S,3S)-3-Hydroxy-5-oxo-5-{[(2S)-1-oxo-3-phenyl-1-(2-propin-1-ylamino)-2-propanyl]amino}-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3S)-3-Hydroxy-5-oxo-5-{[(2S)-1-oxo-3-phenyl-1-(2-propyn-1-ylamino)-2-propanyl]amino}-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridinecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3S)-3-Hydroxy-5-oxo-5-{[(2S)-1-oxo-3-phényl-1-(2-propyn-1-ylamino)-2-propanyl]amino}-1-phényl-2-pentanyl]amino}-3-méthyl-1-oxo-2-butanyl]-2-pyridinecarboxamide [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: 975.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.0±3.0 kJ/mol
Flash Point: 544.0±34.3 °C
Index of Refraction: 1.590
Molar Refractivity: 166.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 38.99
ACD/KOC (pH 5.5): 478.68
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.03
ACD/KOC (pH 7.4): 479.13
Polar Surface Area: 150 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 493.0±3.0 cm3

Click to predict properties on the Chemicalize site


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