ChemSpider 2D Image | Benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]carbamate | C18H28FN5O4

Benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]carbamate

  • Molecular FormulaC18H28FN5O4
  • Average mass397.444 Da
  • Monoisotopic mass397.212524 Da
  • ChemSpider ID59051958

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S)-5-[(Diaminométhyl)amino]-1-{[(2S)-4-fluoro-3-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]carbamate [ACD/IUPAC Name]
Benzyl-[(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluor-3-oxo-2-butanyl]amino}-1-oxo-2-pentanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-4-[(diaminomethyl)amino]-1-[[[(1S)-3-fluoro-1-methyl-2-oxopropyl]amino]carbonyl]butyl]-, phenylmethyl ester [ACD/Index Name]
benzoyl-arginine-alanine-methyl 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: 643.0±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: 342.7±31.5 °C
Index of Refraction: 1.538
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 325.4±3.0 cm3

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