ChemSpider 2D Image | N-[(2S)-1-{[(2S)-1-Hydroxy-4-({(2S)-3-phenyl-2-[(2-pyridinylcarbonyl)amino]propanoyl}amino)-2-butanyl]amino}-1-oxo-3-phenyl-2-propanyl]-2-pyridinecarboxamide | C34H36N6O5

N-[(2S)-1-{[(2S)-1-Hydroxy-4-({(2S)-3-phenyl-2-[(2-pyridinylcarbonyl)amino]propanoyl}amino)-2-butanyl]amino}-1-oxo-3-phenyl-2-propanyl]-2-pyridinecarboxamide

  • Molecular FormulaC34H36N6O5
  • Average mass608.687 Da
  • Monoisotopic mass608.274719 Da
  • ChemSpider ID426575

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Pyridinecarboxamide, N-[(1S)-2-[[(1S)-1-(hydroxymethyl)-3-[[(2S)-1-oxo-3-phenyl-2-[(2-pyridinylcarbonyl)amino]propyl]amino]propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]- [ACD/Index Name]
N-[(2S)-1-{[(2S)-1-Hydroxy-4-({(2S)-3-phenyl-2-[(2-pyridinylcarbonyl)amino]propanoyl}amino)-2-butanyl]amino}-1-oxo-3-phenyl-2-propanyl]-2-pyridincarboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-Hydroxy-4-({(2S)-3-phenyl-2-[(2-pyridinylcarbonyl)amino]propanoyl}amino)-2-butanyl]amino}-1-oxo-3-phenyl-2-propanyl]-2-pyridinecarboxamide [ACD/IUPAC Name]
N-[(2S)-1-{[(2S)-1-Hydroxy-4-({(2S)-3-phényl-2-[(2-pyridinylcarbonyl)amino]propanoyl}amino)-2-butanyl]amino}-1-oxo-3-phényl-2-propanyl]-2-pyridinecarboxamide [French] [ACD/IUPAC Name]
2-Pyridinecarboxamide, N-[2-[[1-(hydroxymethyl)-3-[[1-oxo-3-phenyl-2-[(2-pyridinylcarbonyl)amino]propyl]amino]propyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-

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

AIDS108989 [DBID]
AIDS-108989 [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: 1036.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.8±3.0 kJ/mol
Flash Point: 580.9±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.63
ACD/KOC (pH 5.5): 225.54
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.64
ACD/KOC (pH 7.4): 225.76
Polar Surface Area: 162 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 481.4±3.0 cm3

Click to predict properties on the Chemicalize site


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