ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-O-(Tert-Butyl)-L-Threonyl-3-Cyclohexyl-N-[(1s)-2-Hydroxy-1-{[(3s)-2-Oxopyrrolidin-3-Yl]methyl}ethyl]-L-Alaninamide | C32H50N4O7

N-[(Benzyloxy)carbonyl]-O-(Tert-Butyl)-L-Threonyl-3-Cyclohexyl-N-[(1s)-2-Hydroxy-1-{[(3s)-2-Oxopyrrolidin-3-Yl]methyl}ethyl]-L-Alaninamide

  • Molecular FormulaC32H50N4O7
  • Average mass602.762 Da
  • Monoisotopic mass602.367920 Da
  • ChemSpider ID10018709
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Alaninamide, O-(1,1-dimethylethyl)-N-[(phenylmethoxy)carbonyl]-L-threonyl-3-cyclohexyl-N-[(1S)-2-hydroxy-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-alaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-alaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(2-méthyl-2-propanyl)-L-thréonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-alaninamide [French] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-O-(Tert-Butyl)-L-Threonyl-3-Cyclohexyl-N-[(1s)-2-Hydroxy-1-{[(3s)-2-Oxopyrrolidin-3-Yl]methyl}ethyl]-L-Alaninamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 873.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 482.1±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 162.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 271.68
ACD/KOC (pH 5.5): 1921.42
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 271.53
ACD/KOC (pH 7.4): 1920.38
Polar Surface Area: 155 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 522.7±3.0 cm3

Click to predict properties on the Chemicalize site






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