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CHEBI:96293 - 3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

ChEBI IDCHEBI:96293
ChEBI Name3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
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FormulaC27H34FN3O5S
Net Charge0
Average Mass531.650
Monoisotopic Mass531.22032
SMILESCCCC#Cc1ccc2c(c1)O[C@@H](CN(C)C(=O)Nc1ccccc1F)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChIInChI=1S/C27H34FN3O5S/c1-5-6-7-10-21-13-14-26-24(15-21)36-25(19(2)16-31(20(3)18-32)37(26,34)35)17-30(4)27(33)29-23-12-9-8-11-22(23)28/h8-9,11-15,19-20,25,32H,5-6,16-18H2,1-4H3,(H,29,33)/t19-,20-,25+/m1/s1
InChIKeyZRJLNIRQYSTGIF-FHAGJXEFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96293) is a ureas (CHEBI:47857)
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