ChemSpider 2D Image | N-(2,2-Dimethylpropyl)-N~2~-[1h-Indol-3-Yl(Oxo)acetyl]-L-Asparaginyl-N-(2-Methylbenzyl)-3-Pyridin-4-Yl-L-Alaninamide | C35H40N6O5

N-(2,2-Dimethylpropyl)-N2-[1h-Indol-3-Yl(Oxo)acetyl]-L-Asparaginyl-N-(2-Methylbenzyl)-3-Pyridin-4-Yl-L-Alaninamide

  • Molecular FormulaC35H40N6O5
  • Average mass624.729 Da
  • Monoisotopic mass624.306030 Da
  • ChemSpider ID26327115

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Alaninamide, N-(2,2-dimethylpropyl)-N2-[2-(1H-indol-3-yl)-1,2-dioxoethyl]-L-asparaginyl-N-[(2-methylphenyl)methyl]-3-(4-pyridinyl)- [ACD/Index Name]
N-(2,2-Dimethylpropyl)-N2-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-(4-pyridinyl)-L-alaninamid [German] [ACD/IUPAC Name]
N-(2,2-Dimethylpropyl)-N2-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-(4-pyridinyl)-L-alaninamide [ACD/IUPAC Name]
N-(2,2-Dimethylpropyl)-N2-[1h-Indol-3-Yl(Oxo)acetyl]-L-Asparaginyl-N-(2-Methylbenzyl)-3-Pyridin-4-Yl-L-Alaninamide
N-(2,2-Diméthylpropyl)-N2-[2-(1H-indol-3-yl)-2-oxoacétyl]-L-asparaginyl-N-(2-méthylbenzyl)-3-(4-pyridinyl)-L-alaninamide [French] [ACD/IUPAC Name]
L3T

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 175.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 69.05
ACD/KOC (pH 5.5): 579.25
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 146.63
ACD/KOC (pH 7.4): 1229.99
Polar Surface Area: 162 Å2
Polarizability: 69.4±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 503.4±3.0 cm3

Click to predict properties on the Chemicalize site


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