ChemSpider 2D Image | 2-Methyl-2-propanyl 2-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(2-quinolinylcarbonyl)-L-valyl]amino}butyl]-2-isopropylhydrazinecarboxylate | C33H45N5O5

2-Methyl-2-propanyl 2-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(2-quinolinylcarbonyl)-L-valyl]amino}butyl]-2-isopropylhydrazinecarboxylate

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID430443
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-[(2R,3S)-2-Hydroxy-4-phényl-3-{[N-(2-quinoléinylcarbonyl)-L-valyl]amino}butyl]-2-isopropylhydrazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(2-quinolinylcarbonyl)-L-valyl]amino}butyl]-2-isopropylhydrazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-[(2R,3S)-3-{[N-(2-chinolinylcarbonyl)-L-valyl]amino}-2-hydroxy-4-phenylbutyl]-2-isopropylhydrazincarboxylat [German] [ACD/IUPAC Name]
Hydrazinecarboxylic acid, 2-[(2R,3S)-2-hydroxy-3-[[(2S)-3-methyl-1-oxo-2-[(2-quinolinylcarbonyl)amino]butyl]amino]-4-phenylbutyl]-2-(1-methylethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
t-Butyl 3-isopropyl-3-[(2R, 3S)-2-hydroxy-3-(N-quinaldyl-L-valyl)amino-4-phenylbutyl]carbazate

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

AIDS115742 [DBID]
AIDS-115742 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 168.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1097.37
ACD/KOC (pH 5.5): 5217.97
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1096.67
ACD/KOC (pH 7.4): 5214.62
Polar Surface Area: 133 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 506.9±3.0 cm3

Click to predict properties on the Chemicalize site






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