Found 1 result

Search term: NC(=O)CC[C@H](NC(=O)CCc1ccc(cc1)-c1cc(cs1)-c1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N~2~-{3-[4-(4-Phenyl-2-thienyl)phenyl]propanoyl}-L-glutaminyl-L-alpha-glutamine | C29H32N4O6S

N2-{3-[4-(4-Phenyl-2-thienyl)phenyl]propanoyl}-L-glutaminyl-L-α-glutamine

  • Molecular FormulaC29H32N4O6S
  • Average mass564.653 Da
  • Monoisotopic mass564.204285 Da
  • ChemSpider ID35034254

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

L-α-Glutamine, N2-[1-oxo-3-[4-(4-phenyl-2-thienyl)phenyl]propyl]-L-glutaminyl- [ACD/Index Name]
N2-{3-[4-(4-Phenyl-2-thienyl)phenyl]propanoyl}-L-glutaminyl-L-α-glutamin [German] [ACD/IUPAC Name]
N2-{3-[4-(4-Phenyl-2-thienyl)phenyl]propanoyl}-L-glutaminyl-L-α-glutamine [ACD/IUPAC Name]
N2-{3-[4-(4-Phényl-2-thiényl)phényl]propanoyl}-L-glutaminyl-L-α-glutamine [French] [ACD/IUPAC Name]
N2-{3-[4-(4-Phenylthiophen-2-Yl)phenyl]propanoyl}-L-Glutaminyl-L-α-Glutamine
QEG

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

Density: 1.3±0.1 g/cm3
Boiling Point: 978.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.4±3.0 kJ/mol
Flash Point: 545.5±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 150.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 3.52
ACD/KOC (pH 5.5): 41.82
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 210 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 432.7±3.0 cm3

Click to predict properties on the Chemicalize site


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