ChemSpider 2D Image | N~4~-(2,2-Dimethylpropyl)-N~1~-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}-N~2~-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide | C32H41N5O5

N4-(2,2-Dimethylpropyl)-N1-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}-N2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide

  • Molecular FormulaC32H41N5O5
  • Average mass575.698 Da
  • Monoisotopic mass575.310791 Da
  • ChemSpider ID35035271

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-Aspartamide, N4-(2,2-dimethylpropyl)-N2-[(5-methyl-3-isoxazolyl)carbonyl]-N1-[(1S)-1-[[[(4-methylphenyl)methyl]amino]carbonyl]-3-phenylpropyl]- [ACD/Index Name]
N4-(2,2-Dimethylpropyl)-N1-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}-N2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamid [German] [ACD/IUPAC Name]
N4-(2,2-Dimethylpropyl)-N1-{(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}-N2-[(5-methyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide [ACD/IUPAC Name]
N4-(2,2-Diméthylpropyl)-N1-{(2S)-1-[(4-méthylbenzyl)amino]-1-oxo-4-phényl-2-butanyl}-N2-[(5-méthyl-1,2-oxazol-3-yl)carbonyl]-L-aspartamide [French] [ACD/IUPAC Name]
N4-(2,2-Dimethylpropyl)-N1-{(2s)-1-[(4-Methylbenzyl)amino]-1-Oxo-4-Phenylbutan-2-Yl}-N2-[(5-Methyl-1,2-Oxazol-3-Yl)carbonyl]-L-Aspartamide
3SD

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 905.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.6±3.0 kJ/mol
Flash Point: 501.1±34.3 °C
Index of Refraction: 1.562
Molar Refractivity: 159.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 303.95
ACD/KOC (pH 5.5): 2082.17
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 303.94
ACD/KOC (pH 7.4): 2082.10
Polar Surface Area: 142 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 492.9±3.0 cm3

Click to predict properties on the Chemicalize site


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