ChemSpider 2D Image | (2R)-N~1~-[(2R,3S)-2-Hydroxy-4-phenyl-3-{[N-(2-quinolinylcarbonyl)-L-threonyl]amino}butyl]-2-(2-methyl-2-propanyl)-N~4~-(3-pentanyl)succinamide | C37H51N5O6

(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

  • Molecular FormulaC37H51N5O6
  • Average mass661.831 Da
  • Monoisotopic mass661.383911 Da
  • ChemSpider ID410052

  • defined stereocentres - 4 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]
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]
(OHEt)amide isostere
(R)-2-tert-Butyl-N*4*-(1-ethyl-propyl)-N*1*-((2R,3S)-2-hydroxy-3-{(S)-3-hydroxy-2-[(quinoline-2-carbonyl)-amino]-butyrylamino}-4-phenyl-butyl)-succinamide
(R)-2-tert-Butyl-N4-(1-ethyl-propyl)-N1-((2R,3S)-2-hydroxy-3-{(S)-3-hydroxy-2-[(1-quinolin-2-yl-methanoyl)-amino]-butanoylamino}-4-phenyl-butyl)-succinamide

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

AIDS050408 [DBID]
AIDS-050408 [DBID]

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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