3-[[4-[4-(4-fluorophenyl)-2-[5-methyl-5-[(phenylmethyl)carbamoyl]-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-[(phenylmethyl)carbamoyl]-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid Openeye Name: 3-[[4-[2-[5-(benzylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid CAS Name: 3-[[4-[4-(4-fluorophenyl)-2-[5-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-1,3-dioxan-2-yl]-1H-imidazol-5-yl]-2-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-[5-(benzylcarbamoyl)-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-(benzylcarbamoyl)-5-methyl-1,3-dioxan-2-yl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propionic acid Formula: C29H29FN6O5 MolecularWeight: 560.576163

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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)C(=O)NCC5=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)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H29FN6O5/c1-29(27(39)33-15-18-5-3-2-4-6-18)16-40-26(41-17-29)25-35-23(19-7-9-20(30)10-8-19)24(36-25)21-11-13-31-28(34-21)32-14-12-22(37)38/h2-11,13,26H,12,14-17H2,1H3,(H,33,39)(H,35,36)(H,37,38)(H,31,32,34)