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Search term: NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1cc(no1)-c1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-[3-(3-Phenyl-1,2-oxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamine | C22H26N4O8

N-[3-(3-Phenyl-1,2-oxazol-5-yl)propanoyl]-L-α-glutamyl-L-α-glutamine

  • Molecular FormulaC22H26N4O8
  • Average mass474.464 Da
  • Monoisotopic mass474.175049 Da
  • ChemSpider ID25060973

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-α-Glutamine, N-[1-oxo-3-(3-phenyl-5-isoxazolyl)propyl]-L-α-glutamyl- [ACD/Index Name]
N-[3-(3-Phenyl-1,2-oxazol-5-yl)propanoyl]-L-α-glutamyl-L-α-glutamin [German] [ACD/IUPAC Name]
N-[3-(3-Phenyl-1,2-oxazol-5-yl)propanoyl]-L-α-glutamyl-L-α-glutamine [ACD/IUPAC Name]
N-[3-(3-Phényl-1,2-oxazol-5-yl)propanoyl]-L-α-glutamyl-L-α-glutamine [French] [ACD/IUPAC Name]
N-[3-(3-Phenylisoxazol-5-Yl)propanoyl]-L-α-Glutamyl-L-α-Glutamyl-Amide
EEC

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

Density: 1.4±0.1 g/cm3
Boiling Point: 975.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.9±3.0 kJ/mol
Flash Point: 543.6±34.3 °C
Index of Refraction: 1.579
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

Click to predict properties on the Chemicalize site


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