CHEBI:109961 - 1-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-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,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea ChEBI ID CHEBI:109961 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H37N3O5S Net Charge 0 Average Mass 479.635 Monoisotopic Mass 479.24539 InChI InChI=1S/C24H37N3O5S/c1-5-12-25-24(29)26(4)15-22-17(2)14-27(18(3)16-28)33(30,31)23-11-10-20(13-21(23)32-22)19-8-6-7-9-19/h8,10-11,13,17-18,22,28H,5-7,9,12,14-16H2,1-4H3,(H,25,29)/t17-,18-,22+/m1/s1 InChIKey UDSHYHUEGCAODY-HMFYCAOWSA-N SMILES CCCNC(=O)N(C)C[C@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CCCC3)[C@H](C)CO)C ChEBI Ontology Outgoing 1-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea (CHEBI:109961) is a aromatic ether (CHEBI:35618) Manual Xref Database LSM-21388 LINCS View more database links