CHEBI:109860 - 1-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea ChEBI ID CHEBI:109860 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H34FN3O5S Net Charge 0 Average Mass 507.620 Monoisotopic Mass 507.22032 InChI InChI=1S/C25H34FN3O5S/c1-5-12-27-25(31)28(4)15-23-17(2)14-29(18(3)16-30)35(32,33)24-11-10-19(13-22(24)34-23)20-8-6-7-9-21(20)26/h6-11,13,17-18,23,30H,5,12,14-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m1/s1 InChIKey YZGVRROAGSWMNC-IEGUWTFLSA-N SMILES CCCNC(=O)N(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3F)[C@@H](C)CO)C ChEBI Ontology Outgoing 1-[[(4R,5S)-8-(2-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea (CHEBI:109860) is a organofluorine compound (CHEBI:37143) Manual Xref Database LSM-21288 LINCS View more database links