(2S)-2-azanyl-3-[4-[2-azanyl-6-[1-(4,5-dimethoxy-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[2-azanyl-6-[1-(4,5-dimethoxy-2-phenyl-phenyl)-2,2,2-tris(fluoranyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-amino-6-[1-(4,5-dimethoxy-2-phenyl-phenyl)-2,2,2-trifluoro-ethoxy]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-amino-6-[1-(4,5-dimethoxy-2-phenylphenyl)-2,2,2-trifluoroethoxy]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[1-(4,5-dimethoxy-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-amino-6-[1-(4,5-dimethoxy-2-phenyl-phenyl)-2,2,2-trifluoro-ethoxy]pyrimidin-4-yl]phenyl]propionic acid Formula: C29H27F3N4O5 MolecularWeight: 568.54369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC=CC=C2)C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N)OC

InChI

InChI=1S/C29H27F3N4O5/c1-39-23-13-19(17-6-4-3-5-7-17)20(14-24(23)40-2)26(29(30,31)32)41-25-15-22(35-28(34)36-25)18-10-8-16(9-11-18)12-21(33)27(37)38/h3-11,13-15,21,26H,12,33H2,1-2H3,(H,37,38)(H2,34,35,36)/t21-,26?/m0/s1