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Search term: WWVOLAXACGYVCQ-CLJLJLNGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N,N,2-Trimethylalanyl-N-[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]-D-tryptophanamide | C29H36N6O3

N,N,2-Trimethylalanyl-N-[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]-D-tryptophanamide

  • Molecular FormulaC29H36N6O3
  • Average mass516.635 Da
  • Monoisotopic mass516.284912 Da
  • ChemSpider ID9093578

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

D-Tryptophanamide, N,N,2-trimethylalanyl-N-[(1R)-1-(acetylamino)-2-(1H-indol-3-yl)ethyl]- [ACD/Index Name]
N,N,2-Trimethylalanyl-N-[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]-D-tryptophanamid [German] [ACD/IUPAC Name]
N,N,2-Trimethylalanyl-N-[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]-D-tryptophanamide [ACD/IUPAC Name]
N,N,2-Triméthylalanyl-N-[(1R)-1-acétamido-2-(1H-indol-3-yl)éthyl]-D-tryptophaneamide [French] [ACD/IUPAC Name]
CHEMBL279822
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL279822/
N,N,2-trimethylalanyl-N-[(1R)-1-(acetylamino)-2-(1H-indol-3-yl)ethyl]-D-tryptophanamide
N-[1-[(R)-(R)-1-Acetylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-2-dimethylamino-2-methyl-propionamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 913.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.9±3.0 kJ/mol
Flash Point: 506.2±34.3 °C
Index of Refraction: 1.644
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.03
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 32.31
ACD/KOC (pH 7.4): 317.54
Polar Surface Area: 122 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 415.3±3.0 cm3

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