ChemSpider 2D Image | (2s)-2-Tert-Butyl-N~4~-(1-Ethylpropyl)-N~1~-[(2r,3s)-2-Hydroxy-4-Phenyl-3-{[n-(Quinolin-2-Ylcarbonyl)-L-Threonyl]amino}butyl]butanediamide | C37H51N5O6

(2s)-2-Tert-Butyl-N4-(1-Ethylpropyl)-N1-[(2r,3s)-2-Hydroxy-4-Phenyl-3-{[n-(Quinolin-2-Ylcarbonyl)-L-Threonyl]amino}butyl]butanediamide

  • Molecular FormulaC37H51N5O6
  • Average mass661.831 Da
  • Monoisotopic mass661.383911 Da
  • ChemSpider ID393849

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R)-N1-[(2R,3S)-2-Hydroxy-4-phényl-3-{[N-(2-quinoléinylcarbonyl)-L-thréonyl]amino}butyl]-2-(2-méthyl-2-propanyl)-N4-(3-pentanyl)succinamide [French] [ACD/IUPAC Name]
(2R)-N1-[(2R,3S)-2-Hydroxy-4-phenyl-3-{[N-(2-quinolinylcarbonyl)-L-threonyl]amino}butyl]-2-(2-methyl-2-propanyl)-N4-(3-pentanyl)succinamide [ACD/IUPAC Name]
(2R)-N1-[(2R,3S)-3-{[N-(2-Chinolinylcarbonyl)-L-threonyl]amino}-2-hydroxy-4-phenylbutyl]-2-(2-methyl-2-propanyl)-N4-(3-pentanyl)succinamid [German] [ACD/IUPAC Name]
(2s)-2-Tert-Butyl-N4-(1-Ethylpropyl)-N1-[(2r,3s)-2-Hydroxy-4-Phenyl-3-{[n-(Quinolin-2-Ylcarbonyl)-L-Threonyl]amino}butyl]butanediamide
Butanediamide, 2-(1,1-dimethylethyl)-N4-(1-ethylpropyl)-N1-[(2R,3S)-2-hydroxy-3-[[(2S,3R)-3-hydroxy-1-oxo-2-[(2-quinolinylcarbonyl)amino]butyl]amino]-4-phenylbutyl]-, (2R)- [ACD/Index Name]
0PP
QNC-THR-PHM-RHS

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 995.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.1±3.0 kJ/mol
Flash Point: 555.7±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 186.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 229.72
ACD/KOC (pH 5.5): 1703.97
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.71
ACD/KOC (pH 7.4): 1703.86
Polar Surface Area: 170 Å2
Polarizability: 74.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 563.1±3.0 cm3

Click to predict properties on the Chemicalize site


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