(2S)-2-azanyl-3-[4-[2-azanyl-6-[2,2,2-tris(fluoranyl)-1-(4-methoxy-5-bicyclo[2.2.2]oct-2-enyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-[2-azanyl-6-[2,2,2-tris(fluoranyl)-1-(4-methoxy-5-bicyclo[2.2.2]oct-2-enyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(4-methoxy-5-bicyclo[2.2.2]oct-2-enyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid CAS Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(4-methoxy-5-bicyclo[2.2.2]oct-2-enyl)ethoxy]-4-pyrimidinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(4-methoxy-5-bicyclo[2.2.2]oct-2-enyl)ethoxy]pyrimidin-4-yl]phenyl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-[2-amino-6-[2,2,2-trifluoro-1-(4-methoxy-5-bicyclo[2.2.2]oct-2-enyl)ethoxy]pyrimidin-4-yl]phenyl]propionic acid Formula: C24H27F3N4O4 MolecularWeight: 492.49079

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Descriptors Computed from Structure

Canonical SMILES:

COC12CCC(CC1C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)CC(C(=O)O)N)N)C=C2

Isomeric SMILES

COC12CCC(CC1C(C(F)(F)F)OC3=NC(=NC(=C3)C4=CC=C(C=C4)C[C@@H](C(=O)O)N)N)C=C2

InChI

InChI=1S/C24H27F3N4O4/c1-34-23-8-6-14(7-9-23)10-16(23)20(24(25,26)27)35-19-12-18(30-22(29)31-19)15-4-2-13(3-5-15)11-17(28)21(32)33/h2-6,8,12,14,16-17,20H,7,9-11,28H2,1H3,(H,32,33)(H2,29,30,31)/t14?,16?,17-,20?,23?/m0/s1