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Search term: C\C(N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O)=C\C(=O)c1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | GW-409544 | C31H30N2O5

GW-409544

  • Molecular FormulaC31H30N2O5
  • Average mass510.580 Da
  • Monoisotopic mass510.215485 Da
  • ChemSpider ID393946

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

258345-41-4 [RN]
GW-409544
L0LT4RER76
L-Tyrosine, N-[(1Z)-1-methyl-3-oxo-3-phenyl-1-propen-1-yl]-O-[2-(5-methyl-2-phenyl-4-oxazolyl)ethyl]- [ACD/Index Name]
O-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-[(2Z)-4-oxo-4-phenyl-2-buten-2-yl]-L-tyrosin [German] [ACD/IUPAC Name]
O-[2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-N-[(2Z)-4-oxo-4-phenyl-2-buten-2-yl]-L-tyrosine [ACD/IUPAC Name]
O-[2-(5-Méthyl-2-phényl-1,3-oxazol-4-yl)éthyl]-N-[(2Z)-4-oxo-4-phényl-2-butén-2-yl]-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-2-[[(Z)-1-methyl-3-oxo-3-phenylprop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]propanoic acid
(2S)-2-[[(Z)-1-methyl-3-oxo-3-phenyl-prop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propanoic acid
(2S)-2-[[(Z)-3-keto-1-methyl-3-phenyl-prop-1-enyl]amino]-3-[4-[2-(5-methyl-2-phenyl-oxazol-4-yl)ethoxy]phenyl]propionic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

GW 409544 [DBID]
544 [DBID]
C15623 [DBID]
GW 9544 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 727.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.6±35.7 °C
Index of Refraction: 1.604
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 203.57
ACD/KOC (pH 5.5): 573.04
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 9.39
ACD/KOC (pH 7.4): 26.43
Polar Surface Area: 102 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 420.2±3.0 cm3

Click to predict properties on the Chemicalize site


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