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Search term: NKQUZOWPOCJXRE-WIRXVTQYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{(2S)-1-[(3S)-3-Benzyl-5-oxo-1-piperazinyl]-4-methyl-1-oxo-2-pentanyl}-Nalpha-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamide | C33H43N5O5

N-{(2S)-1-[(3S)-3-Benzyl-5-oxo-1-piperazinyl]-4-methyl-1-oxo-2-pentanyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamide

  • Molecular FormulaC33H43N5O5
  • Average mass589.725 Da
  • Monoisotopic mass589.326416 Da
  • ChemSpider ID24683680

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1S)-1-(1H-indol-3-ylmethyl)-2-[[(1S)-3-methyl-1-[[(5S)-3-oxo-5-(phenylmethyl)-1-piperazinyl]carbonyl]butyl]amino]-2-oxoethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-{(2S)-1-[(3S)-3-Benzyl-5-oxo-1-piperazinyl]-4-methyl-1-oxo-2-pentanyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamid [German] [ACD/IUPAC Name]
N-{(2S)-1-[(3S)-3-Benzyl-5-oxo-1-piperazinyl]-4-methyl-1-oxo-2-pentanyl}-Nα-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tryptophanamide [ACD/IUPAC Name]
N-{(2S)-1-[(3S)-3-Benzyl-5-oxo-1-pipérazinyl]-4-méthyl-1-oxo-2-pentanyl}-Nα-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tryptophaneamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL354363/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 883.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 487.8±34.3 °C
Index of Refraction: 1.588
Molar Refractivity: 165.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.93
ACD/KOC (pH 5.5): 2561.29
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 405.89
ACD/KOC (pH 7.4): 2560.98
Polar Surface Area: 133 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 490.2±3.0 cm3

Click to predict properties on the Chemicalize site


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