ChemSpider 2D Image | 1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-phenylalanyl-N-[(4S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nalpha-methyl- L-histidinamide | C50H75N9O8

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-phenylalanyl-N-[(4S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-methyl- L-histidinamide

  • Molecular FormulaC50H75N9O8
  • Average mass930.186 Da
  • Monoisotopic mass929.573853 Da
  • ChemSpider ID8186641

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-phenylalanyl-N-[(4S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-methyl- L-histidinamid [German] [ACD/IUPAC Name]
1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-phenylalanyl-N-[(4S,7S)-5-hydroxy-2,8-dimethyl-7-({(2S,3S)-3-methyl-1-oxo-1-[(2-pyridinylmethyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-methyl- L-histidinamide [ACD/IUPAC Name]
1-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-prolyl-L-phénylalanyl-N-[(4S,7S)-5-hydroxy-2,8-diméthyl-7-({(2S,3S)-3-méthyl-1-oxo-1-[(2-pyridinylméthyl)amino]-2-pentanyl}carbamoyl)-4-nonanyl]-Nα-méthyl- L-histidinamide [French] [ACD/IUPAC Name]
L-Histidinamide, 1-[(1,1-dimethylethoxy)carbonyl]-L-prolyl-L-phenylalanyl-N-[(1S,4S)-2-hydroxy-5-methyl-1-(2-methylpropyl)-4-[[[(1S,2S)-2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbo ;nyl]hexyl]-Nα-methyl- [ACD/Index 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: 1156.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 178.9±3.0 kJ/mol
Flash Point: 653.3±34.3 °C
Index of Refraction: 1.560
Molar Refractivity: 255.3±0.3 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 22.40
ACD/KOC (pH 5.5): 143.30
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 322.00
ACD/KOC (pH 7.4): 2059.85
Polar Surface Area: 228 Å2
Polarizability: 101.2±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 789.6±3.0 cm3

Click to predict properties on the Chemicalize site


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