ChemSpider 2D Image | N-[(2s)-3-(3-Tert-Butyl-1,2,4-Oxadiazol-5-Yl)-1-({(2s)-1-[(4-Methylbenzyl)amino]-1-Oxo-4-Phenylbutan-2-Yl}amino)-1-Oxopropan-2-Yl]-5-Methyl-1,2-Oxazole-3-Carboxamide | C32H38N6O5

N-[(2s)-3-(3-Tert-Butyl-1,2,4-Oxadiazol-5-Yl)-1-({(2s)-1-[(4-Methylbenzyl)amino]-1-Oxo-4-Phenylbutan-2-Yl}amino)-1-Oxopropan-2-Yl]-5-Methyl-1,2-Oxazole-3-Carboxamide

  • Molecular FormulaC32H38N6O5
  • Average mass586.681 Da
  • Monoisotopic mass586.290344 Da
  • ChemSpider ID34226698
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,2,4-Oxadiazole-5-propanamide, 3-(1,1-dimethylethyl)-α-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-N-[(1S)-1-[[[(4-methylphenyl)methyl]amino]carbonyl]-3-phenylpropyl]-, (αS)- [ACD/Index Name]
5-Methyl-N-{(2S)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}amino)-3-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]-1-oxo-2-propanyl}-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-N-{(2S)-1-({(2S)-1-[(4-methylbenzyl)amino]-1-oxo-4-phenyl-2-butanyl}amino)-3-[3-(2-methyl-2-propanyl)-1,2,4-oxadiazol-5-yl]-1-oxo-2-propanyl}-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-Méthyl-N-{(2S)-1-({(2S)-1-[(4-méthylbenzyl)amino]-1-oxo-4-phényl-2-butanyl}amino)-3-[3-(2-méthyl-2-propanyl)-1,2,4-oxadiazol-5-yl]-1-oxo-2-propanyl}-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(2s)-3-(3-Tert-Butyl-1,2,4-Oxadiazol-5-Yl)-1-({(2s)-1-[(4-Methylbenzyl)amino]-1-Oxo-4-Phenylbutan-2-Yl}amino)-1-Oxopropan-2-Yl]-5-Methyl-1,2-Oxazole-3-Carboxamide
P3N

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.574
Molar Refractivity: 159.8±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 445.17
ACD/KOC (pH 5.5): 2736.16
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 445.15
ACD/KOC (pH 7.4): 2736.03
Polar Surface Area: 152 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 484.6±3.0 cm3

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