ChemSpider 2D Image | N-[(3-Methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-L-tryptophanamide | C37H46N4O5

N-[(3-Methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-L-tryptophanamide

  • Molecular FormulaC37H46N4O5
  • Average mass626.785 Da
  • Monoisotopic mass626.346802 Da
  • ChemSpider ID35035095

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Tryptophanamide, N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(1S,3R)-1-(cyclohexylmethyl)-4-hydroxy-3-methyl-2-oxobutyl]- [ACD/Index Name]
N-[(3-Methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-L-tryptophanamid [German] [ACD/IUPAC Name]
N-[(3-Methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxo-2-pentanyl]-L-tryptophanamide [ACD/IUPAC Name]
N-[(3-Méthyl-1H-indén-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-méthyl-3-oxo-2-pentanyl]-L-tryptophaneamide [French] [ACD/IUPAC Name]
N-[(3-methyl-1H-inden-2-yl)carbonyl]-D-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-L-tryptophanamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 962.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 536.0±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 177.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1117.78
ACD/KOC (pH 5.5): 5288.54
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1117.78
ACD/KOC (pH 7.4): 5288.52
Polar Surface Area: 140 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 513.1±3.0 cm3

Click to predict properties on the Chemicalize site


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