ChemSpider 2D Image | N-(Tert-Butoxycarbonyl)-L-Alpha-Glutamyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide | C21H33F2N3O9

N-(Tert-Butoxycarbonyl)-L-α-Glutamyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide

  • Molecular FormulaC21H33F2N3O9
  • Average mass509.498 Da
  • Monoisotopic mass509.218475 Da
  • ChemSpider ID427626

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Leucinamide, N-[(1,1-dimethylethoxy)carbonyl]-L-α-glutamyl-N-[(1S)-1-(carboxycarbonyl)-3,3-difluoropropyl]- [ACD/Index Name]
N-(Tert-Butoxycarbonyl)-L-α-Glutamyl-N-[(1r)-1-(Carboxycarbonyl)-3,3-Difluoropropyl]-L-Leucinamide
N-(tert-butoxycarbonyl)-L-α-glutamyl-N-[(2S)-1-carboxy-4,4-difluoro-1-oxobutan-2-yl]-L-leucinamide
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-α-glutamyl-N-[(2S)-1-carboxy-4,4-difluor-1-oxo-2-butanyl]-L-leucinamid [German] [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-α-glutamyl-N-[(2S)-1-carboxy-4,4-difluoro-1-oxo-2-butanyl]-L-leucinamide [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-α-glutamyl-N-[(2S)-1-carboxy-4,4-difluoro-1-oxo-2-butanyl]-L-leucinamide [French] [ACD/IUPAC Name]
(3S)-3-((2S)-2-{(2S)-2-[(tert-Butoxy)carbonylamino]-4-carboxybutanoylamino}-4-methylpentanoylamino)-5,5-difluoro-2-oxopentanoic acid
(S)-3-[(S)-2-((S)-2-tert-Butoxycarbonylamino-4-carboxy-butyrylamino)-4-methyl-pentanoylamino]-5,5-difluoro-2-oxo-pentanoic acid
CHEMBL163917
α-Ketoacid-t-Boc-Glu-Leu-(difluoro)aminobutyric acid

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

AIDS110652 [DBID]
AIDS-110652 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 760.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 413.9±32.9 °C
Index of Refraction: 1.490
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 398.5±3.0 cm3

Click to predict properties on the Chemicalize site


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