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

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Properties Simple | Detailed

Formula C28H25F3N4O4
IUPAC Name (2s)-2-amino-3-[4-[2-amino-6-[(1r)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
Molecular Mass 538.518 g·mol−1
Heat of Formation -946.8 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 605.93 Å 3
Surface Area 527.47 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-[2-amino-6-[(1r)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]-4-pyrimidinyl]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[2-amino-6-[(1r)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid
  • (2s)-2-amino-3-[4-[2-amino-6-[(1r)-2,2,2-trifluoro-1-[4-(3-methoxyphenyl)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propionic acid
InChIKey XNMUICFMGGQSMZ-WIOPSUGQSA-N
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