ChemSpider 2D Image | cyclo(N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-[(tert-butoxycarbonyl)amino]-3-oxopropan-2-yl}-L-phenylalaninamide) | C31H42N4O7

cyclo(N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-[(tert-butoxycarbonyl)amino]-3-oxopropan-2-yl}-L-phenylalaninamide)

  • Molecular FormulaC31H42N4O7
  • Average mass582.688 Da
  • Monoisotopic mass582.305359 Da
  • ChemSpider ID8897340

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

cyclo(N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-[(tert-butoxycarbonyl)amino]-3-oxopropan-2-yl}-L-phenylalaninamide)
L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-formylethyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxo-2-propanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxo-2-propanyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxo-2-propanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
((S)-1-{(S)-1-[(S)-1-(tert-Butoxycarbonylamino-methyl)-2-oxo-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester
CHEMBL328212
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL328212/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 824.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.7±34.3 °C
Index of Refraction: 1.542
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 697.99
ACD/KOC (pH 5.5): 3777.70
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 697.68
ACD/KOC (pH 7.4): 3776.04
Polar Surface Area: 152 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 498.9±3.0 cm3

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