CHEBI:49710 - N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide

ChEBI IDCHEBI:49710
ChEBI NameN-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide
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DownloadsMolfile
FormulaC28H29FN4O5S2
Net Charge0
Average Mass584.695
Monoisotopic Mass584.15634
SMILES[H]c1c([H])c([H])c(C([H])([H])C([H])([H])[C@@]2([H])N=C([C@@]([H])(N([H])S(=O)(=O)c3c([H])c([H])c([H])c(F)c3[H])C([H])([H])c3c([H])c([H])c([C@]4([H])C([H])([H])C(=O)N([H])S4(=O)=O)c([H])c3[H])N([H])C2([H])[H])c([H])c1[H]
InChIInChI=1S/C28H29FN4O5S2/c29-22-7-4-8-24(16-22)39(35,36)32-25(28-30-18-23(31-28)14-11-19-5-2-1-3-6-19)15-20-9-12-21(13-10-20)26-17-27(34)33-40(26,37)38/h1-10,12-13,16,23,25-26,32H,11,14-15,17-18H2,(H,30,31)(H,33,34)/t23-,25+,26+/m1/s1
InChIKeyLEUYMQLWZMGUTG-AFESJLNVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamide (CHEBI:49710) is a unclassifieds (CHEBI:27189)
Synonym  Source
N-{(1S)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}-1-[(4R)-4-(2-phenylethyl)-4,5-dihydro-1H-imidazol-2-yl]ethyl}-3-fluorobenzenesulfonamidePDBeChem
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