ChemSpider 2D Image | N-[(2S)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-3-chloro-1-oxo-2-propanyl]amino}-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridinecarboxami de | C31H43ClN6O6

N-[(2S)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-3-chloro-1-oxo-2-propanyl]amino}-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridinecarboxami de

  • Molecular FormulaC31H43ClN6O6
  • Average mass631.163 Da
  • Monoisotopic mass630.293274 Da
  • ChemSpider ID24672274

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

N-[(2S)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-3-chlor-1-oxo-2-propanyl]amino}-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridincarboxamid (non-preferred name) [German] [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-Amino-4-methyl-1-oxo-2-pentanyl]amino}-3-chloro-1-oxo-2-propanyl]amino}-3-hydroxy-5-oxo-1-phenyl-2-pentanyl]amino}-3-methyl-1-oxo-2-butanyl]-2-pyridinecarboxami de [ACD/IUPAC Name]
N-[(2S)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-Amino-4-méthyl-1-oxo-2-pentanyl]amino}-3-chloro-1-oxo-2-propanyl]amino}-3-hydroxy-5-oxo-1-phényl-2-pentanyl]amino}-3-méthyl-1-oxo-2-butanyl]-2-pyridinecarboxami de [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: 1025.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 156.9±3.0 kJ/mol
Flash Point: 573.9±34.3 °C
Index of Refraction: 1.565
Molar Refractivity: 166.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.37
ACD/KOC (pH 5.5): 115.87
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.38
ACD/KOC (pH 7.4): 115.98
Polar Surface Area: 193 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 511.0±3.0 cm3

Click to predict properties on the Chemicalize site


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