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

Systemtic Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-methyl-5-(propan-2-ylcarbamoyl)-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-(isopropylcarbamoyl)-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-methyl-5-[oxo-(propan-2-ylamino)methyl]-1,3-dioxan-2-yl]-1H-imidazol-5-yl]-2-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-methyl-5-(propan-2-ylcarbamoyl)-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Traditional Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-(isopropylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propionic acid Formula: C25H29FN6O5 MolecularWeight: 512.533363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCCC(=O)O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC(C)NC(=O)C1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCCC(=O)O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H29FN6O5/c1-14(2)29-23(35)25(3)12-36-22(37-13-25)21-31-19(15-4-6-16(26)7-5-15)20(32-21)17-8-10-27-24(30-17)28-11-9-18(33)34/h4-8,10,14,22H,9,11-13H2,1-3H3,(H,29,35)(H,31,32)(H,33,34)(H,27,28,30)