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

Systemtic Name: 3-[[4-[2-(5-aminocarbonyl-5-methyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-[2-(5-carbamoyl-5-methyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid CAS Name: 3-[[4-[2-(5-carbamoyl-5-methyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-2-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(5-carbamoyl-5-methyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Traditional Name: 3-[[4-[2-(5-carbamoyl-5-methyl-1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propionic acid Formula: C22H23FN6O5 MolecularWeight: 470.453623

Click to see the large picture

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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN6O5/c1-22(20(24)32)10-33-19(34-11-22)18-28-16(12-2-4-13(23)5-3-12)17(29-18)14-6-8-25-21(27-14)26-9-7-15(30)31/h2-6,8,19H,7,9-11H2,1H3,(H2,24,32)(H,28,29)(H,30,31)(H,25,26,27)