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CHEBI:42405 - (3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid

ChEBI IDCHEBI:42405
ChEBI Name(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid
Stars
ASCII Name(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid
Last Modified20 February 2008
DownloadsMolfile
FormulaC22H30FN3O6S
Net Charge0
Average Mass483.562
Monoisotopic Mass483.18393
SMILES[H]OC(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])c1c(-c2c([H])c([H])c(F)c([H])c2[H])nc(N(C([H])([H])[H])S(=O)(=O)C([H])([H])[H])nc1C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C22H30FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-8,13,16-17,27-28H,9-12H2,1-4H3,(H,29,30)/t16-,17-/m1/s1
InChIKeyZVPAUNJUMAQCNK-IAGOWNOFSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid (CHEBI:42405) has functional parent heptanoic acid (CHEBI:45571)
(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid (CHEBI:42405) is a amidopyrimidine (CHEBI:48536)
(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acid (CHEBI:42405) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACIDPDBeChem
(3R,5R)-7-{4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyheptanoic acidPDBeChem
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