ChemSpider 2D Image | N~2~-[(Benzyloxy)carbonyl]-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-leucinamide | C33H40N2O4S

N2-[(Benzyloxy)carbonyl]-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-leucinamide

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID9246955

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-3-methyl-1-[[[(1S)-2-oxo-1-(phenylmethyl)-3-[(3-phenylpropyl)thio]propyl]amino]carbonyl]butyl]-, phenylmethyl ester [ACD/Index Name]
N2-[(Benzyloxy)carbonyl]-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]-2-butanyl}-L-leucinamide [ACD/IUPAC Name]
N2-[(Benzyloxy)carbonyl]-N-{(2S)-3-oxo-1-phényl-4-[(3-phénylpropyl)sulfanyl]-2-butanyl}-L-leucinamide [French] [ACD/IUPAC Name]
N2-[(benzyloxy)carbonyl]-N-{(2S)-3-oxo-1-phenyl-4-[(3-phenylpropyl)sulfanyl]butan-2-yl}-L-leucinamide
{1-[1-Benzyl-2-oxo-3-(3-phenyl-propylsulfanyl)-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester
benzyl (S)-4-methyl-1-oxo-1-((S)-3-oxo-1-phenyl-4-(3-phenylpropylthio)butan-2-ylamino)pentan-2-ylcarbamate
CHEMBL162474

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

Density: 1.1±0.1 g/cm3
Boiling Point: 749.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.3±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 161.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 8.24
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 81176.09
ACD/KOC (pH 5.5): 113696.73
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 81145.97
ACD/KOC (pH 7.4): 113654.55
Polar Surface Area: 110 Å2
Polarizability: 64.2±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

Click to predict properties on the Chemicalize site


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