ChemSpider 2D Image | Nalpha-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-phenylalaninamide | C33H41N3O5

Nα-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-phenylalaninamide

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID4586212

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Carbamic acid, N-[(1S,2S,4R)-5-[[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Nα-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-phenylalaninamide [ACD/IUPAC Name]
Nα-[(2R,4S,5S)-2-Benzyl-4-hydroxy-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-phénylhexanoyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
Nα-{(2R,4S,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-phenylalaninamide
[1-Benzyl-4-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester
L-682, 679 analog 19
N-[5(S)-[(tert-Butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]phenylalanine amide

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

AIDS003452 [DBID]
AIDS-003452 [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: 830.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 456.2±34.3 °C
Index of Refraction: 1.582
Molar Refractivity: 158.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3333.26
ACD/KOC (pH 5.5): 11568.16
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3333.17
ACD/KOC (pH 7.4): 11567.83
Polar Surface Area: 131 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 476.3±3.0 cm3

Click to predict properties on the Chemicalize site


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