(2S)-2-azanyl-3-[4-[2-azanyl-6-[2,2,2-tris(fluoranyl)-1-(2-fluoranyl-4-phenyl-phenyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[2-azanyl-6-[2,2,2-tris(fluoranyl)-1-(2-fluoranyl-4-phenyl-phenyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(2-fluoro-4-phenyl-phenyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(2-fluoro-4-phenylphenyl)ethoxy]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(2-fluoro-4-phenylphenyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(2-fluoro-4-phenyl-phenyl)ethoxy]pyrimidin-4-yl]phenyl]propionic acid Formula: C27H22F4N4O3 MolecularWeight: 526.482193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N)F

InChI

InChI=1S/C27H22F4N4O3/c28-20-13-18(16-4-2-1-3-5-16)10-11-19(20)24(27(29,30)31)38-23-14-22(34-26(33)35-23)17-8-6-15(7-9-17)12-21(32)25(36)37/h1-11,13-14,21,24H,12,32H2,(H,36,37)(H2,33,34,35)/t21-,24?/m0/s1