3-[[4-[4-(4-fluorophenyl)-2-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid

Systemtic Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid CAS Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-1H-imidazol-5-yl]-2-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-(hydroxymethyl)-5-methyl-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Traditional Name: 3-[[4-[4-(4-fluorophenyl)-2-(5-methyl-5-methylol-1,3-dioxan-2-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propionic acid Formula: C22H24FN5O5 MolecularWeight: 457.454863

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCCC(=O)O)C4=CC=C(C=C4)F)CO

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCCC(=O)O)C4=CC=C(C=C4)F)CO

InChI

InChI=1S/C22H24FN5O5/c1-22(10-29)11-32-20(33-12-22)19-27-17(13-2-4-14(23)5-3-13)18(28-19)15-6-8-24-21(26-15)25-9-7-16(30)31/h2-6,8,20,29H,7,9-12H2,1H3,(H,27,28)(H,30,31)(H,24,25,26)