Found 61 results

Search term: MF = 'C_{35}H_{52}N_{4}O_{6}'
ChemSpider 2D Image | N-{(2R,4R,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-isoleucinamide | C35H52N4O6

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

  • Molecular FormulaC35H52N4O6
  • Average mass624.811 Da
  • Monoisotopic mass624.388672 Da
  • ChemSpider ID23210343

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

L-Isoleucinamide, N-[(2R,4R,5S)-5-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-valyl- [ACD/Index Name]
N-[(2R,4R,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-valyl-L-isoleucinamid [German] [ACD/IUPAC Name]
N-[(2R,4R,5S)-2-Benzyl-4-hydroxy-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-6-phenylhexanoyl]-L-valyl-L-isoleucinamide [ACD/IUPAC Name]
N-[(2R,4R,5S)-2-Benzyl-4-hydroxy-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-6-phénylhexanoyl]-L-valyl-L-isoleucinamide [French] [ACD/IUPAC Name]
N-{(2R,4R,5S)-2-benzyl-5-[(tert-butoxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-isoleucinamide
{(1S,2R)-1-Benzyl-4-[(R)-1-((S)-(S)-1-(S)-carbamoyl-2-methyl-butylcarbamoyl)-2-methyl-propylcarbamoyl]-2-hydroxy-5-phenyl-pentyl}-carbamic acid tert-butyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL334632/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 887.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.1±3.0 kJ/mol
Flash Point: 490.4±34.3 °C
Index of Refraction: 1.543
Molar Refractivity: 175.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1997.55
ACD/KOC (pH 5.5): 8013.36
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1997.51
ACD/KOC (pH 7.4): 8013.19
Polar Surface Area: 160 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 554.8±3.0 cm3

Click to predict properties on the Chemicalize site


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