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

Systemtic Name: (2S)-2-azanyl-3-[4-[2-azanyl-6-[2,2,2-tris(fluoranyl)-1-[4-(3-methoxyphenoxy)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-methoxyphenoxy)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-methoxyphenoxy)phenyl]ethoxy]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-methoxyphenoxy)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-[4-(3-methoxyphenoxy)phenyl]ethoxy]pyrimidin-4-yl]phenyl]propionic acid Formula: C28H25F3N4O5 MolecularWeight: 554.51711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC2=CC=C(C=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N

Isomeric SMILES

COC1=CC=CC(=C1)OC2=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

InChI

InChI=1S/C28H25F3N4O5/c1-38-20-3-2-4-21(14-20)39-19-11-9-18(10-12-19)25(28(29,30)31)40-24-15-23(34-27(33)35-24)17-7-5-16(6-8-17)13-22(32)26(36)37/h2-12,14-15,22,25H,13,32H2,1H3,(H,36,37)(H2,33,34,35)/t22-,25?/m0/s1