ChemSpider 2D Image | N-[(2R,4S,5S)-4-Hydroxy-2-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamide | C33H48N4O6

N-[(2R,4S,5S)-4-Hydroxy-2-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamide

  • Molecular FormulaC33H48N4O6
  • Average mass596.757 Da
  • Monoisotopic mass596.357361 Da
  • ChemSpider ID399705

  • 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-2-methyl-1-oxo-6-phenylhexyl]-L-leucyl- [ACD/Index Name]
N-[(2R,4S,5S)-4-Hydroxy-2-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2R,4S,5S)-4-Hydroxy-2-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2R,4S,5S)-4-Hydroxy-2-méthyl-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-phénylhexanoyl]-L-leucyl-L-phénylalaninamide [French] [ACD/IUPAC Name]
[5(S)-(t-Butyloxycarbonylamino)-4(S)-hydroxy-6-phenyl-2(R)-methylhexanoyl]-L-leucyl-L-phenylalaninamide
{1-Benzyl-4-[1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-3-methyl-butylcarbamoyl]-2-hydroxy-pentyl}-carbamic acid tert-butyl ester
DePh-L-682,679
Hydroxyethylene dipeptide isostere 10

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

AIDS003957 [DBID]
AIDS-003957 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 875.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.3±3.0 kJ/mol
Flash Point: 483.4±34.3 °C
Index of Refraction: 1.549
Molar Refractivity: 165.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 584.27
ACD/KOC (pH 5.5): 3324.04
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 584.26
ACD/KOC (pH 7.4): 3323.97
Polar Surface Area: 160 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 521.4±3.0 cm3

Click to predict properties on the Chemicalize site


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