ChemSpider 2D Image | N-{(2R,4S,5S)-4-Hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]hexanoyl}-L-leucyl-L-phenylalaninamide | C41H54N4O6

N-{(2R,4S,5S)-4-Hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]hexanoyl}-L-leucyl-L-phenylalaninamide

  • Molecular FormulaC41H54N4O6
  • Average mass698.891 Da
  • Monoisotopic mass698.404358 Da
  • ChemSpider ID4484672

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2R,4S,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]hexyl]-L-leucyl- [ACD/Index Name]
N-{(2R,4S,5S)-4-Hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]hexanoyl}-L-leucyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-{(2R,4S,5S)-4-Hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenyl-2-[(2E)-3-phenyl-2-propen-1-yl]hexanoyl}-L-leucyl-L-phenylalaninamide [ACD/IUPAC Name]
N-{(2R,4S,5S)-4-Hydroxy-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-phényl-2-[(2E)-3-phényl-2-propén-1-yl]hexanoyl}-L-leucyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
(5(S)-(t-Butyloxycarbonylamino)-4(S)-hydroxy-6-phenyl-2(R)-(3-phenylprop-2-en-1-yl)hexanoyl)-L-leucyl-L-phenylalaninamide
[5(S)-(t-Butyloxycarbonylamino)-4(S)-hydroxy-6-phenyl-2(R)-(3-phenylprop-2-en-1-yl)hexanoyl]-L-leucyl-L-phenylalaninamide
{1-Benzyl-4-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-7-phenyl-hept-6-enyl}-carbamic acid tert-butyl ester
132619-58-0 [RN]
Boc-PPE-Leu-Phe-NH2
L-Phenylalaninamide, N-(5-(((1,1-dimethylethoxy)carbonyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(3-phenyl-2-propenyl)hexyl)-L-leucyl-, (2R-(2R*(E),4S*,5S*))-
More...

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

AIDS002832 [DBID]
AIDS-002832 [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: 958.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.2±3.0 kJ/mol
Flash Point: 533.6±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 201.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30476.82
ACD/KOC (pH 5.5): 56354.91
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30476.19
ACD/KOC (pH 7.4): 56353.73
Polar Surface Area: 160 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 606.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement