ChemSpider 2D Image | Nalpha-[(Benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxo-2-butanyl]-L-phenylalaninamide | C21H23ClN2O4

Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxo-2-butanyl]-L-phenylalaninamide

  • Molecular FormulaC21H23ClN2O4
  • Average mass402.871 Da
  • Monoisotopic mass402.134644 Da
  • ChemSpider ID23014628
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Carbamic acid, N-[(1S)-2-[[(1S)-3-chloro-1-methyl-2-oxopropyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester [ACD/Index Name]
Nα-[(Benzyloxy)carbonyl]-N-[(1s)-3-Chloro-1-Methyl-2-Oxopropyl]-L-Phenylalaninamide
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-chlor-3-oxo-2-butanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxo-2-butanyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(Benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxo-2-butanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
60525-17-9 [RN]
benzyloxycarbonylphenylalanyl-alanine chloromethyl ketone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 643.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 342.8±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.86
ACD/KOC (pH 5.5): 1350.51
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.79
ACD/KOC (pH 7.4): 1349.95
Polar Surface Area: 85 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 326.0±3.0 cm3

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