CHEBI:96386 - 1-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea

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ChEBI Name 1-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea ChEBI ID CHEBI:96386 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H30F2N4O5S Net Charge 0 Average Mass 584.636 Monoisotopic Mass 584.19050 InChI InChI=1S/C29H30F2N4O5S/c1-18-15-35(19(2)17-36)41(38,39)28-10-7-22(21-6-4-5-20(11-21)14-32)12-26(28)40-27(18)16-34(3)29(37)33-25-13-23(30)8-9-24(25)31/h4-13,18-19,27,36H,15-17H2,1-3H3,(H,33,37)/t18-,19+,27-/m0/s1 InChIKey KZMWOMHQUKXWRI-CUMRGQLISA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@H]1CN(C)C(=O)NC4=C(C=CC(=C4)F)F)[C@H](C)CO ChEBI Ontology Outgoing 1-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2,5-difluorophenyl)-1-methylurea (CHEBI:96386) is a ureas (CHEBI:47857) Manual Xref Database LSM-7765 LINCS View more database links