3-[[4-[4-(4-fluorophenyl)-2-[5-methyl-5-[(2-phenylethanoylamino)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-methyl-5-[(2-phenylethanoylamino)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-methyl-5-[[(2-phenylacetyl)amino]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-[[(1-oxo-2-phenylethyl)amino]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-[[(2-phenylacetyl)amino]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-[[(2-phenylacetyl)amino]methyl]-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propionic acid Formula: C30H31FN6O5 MolecularWeight: 574.602743

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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)CNC(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCCC(=O)O)C4=CC=C(C=C4)F)CNC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H31FN6O5/c1-30(16-34-23(38)15-19-5-3-2-4-6-19)17-41-28(42-18-30)27-36-25(20-7-9-21(31)10-8-20)26(37-27)22-11-13-32-29(35-22)33-14-12-24(39)40/h2-11,13,28H,12,14-18H2,1H3,(H,34,38)(H,36,37)(H,39,40)(H,32,33,35)