4-{2-Amino-6-[(1R)-2,2,2-Trifluoro-1-(3'-Fluoro-4-Biphenylyl)Ethoxy]-4-Pyrimidinyl}-L-Phenylalanine

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Properties Simple | Detailed

Formula C27H22F4N4O3
IUPAC Name (2s)-2-amino-3-[4-[2-amino-6-[(1r)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
Molecular Mass 526.482 g·mol−1
Heat of Formation -988.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 580.05 Å 3
Surface Area 508.4 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey JZWUKILTKYJLCN-XUZZJYLKSA-N
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