ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(benzoylamino)-3-oxo-2-propanyl]-L-phenylalaninamide | C33H38N4O6

N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(benzoylamino)-3-oxo-2-propanyl]-L-phenylalaninamide

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID450164

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-2-(benzoylamino)-1-formylethyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(benzoylamino)-3-oxo-2-propanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(benzoylamino)-3-oxo-2-propanyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(benzoylamino)-3-oxo-2-propanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-(benzoylamino)-3-oxopropan-2-yl]-L-phenylalaninamide
{(S)-1-[(S)-1-((S)-2-Benzoylamino-1-formyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
CHEMBL94652

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

AIDS192649 [DBID]
AIDS-192649 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 897.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.6±3.0 kJ/mol
Flash Point: 496.9±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 161.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 428.22
ACD/KOC (pH 5.5): 2662.88
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 428.05
ACD/KOC (pH 7.4): 2661.84
Polar Surface Area: 143 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 488.8±3.0 cm3

Click to predict properties on the Chemicalize site


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