CHEBI:130954 - N-[[(4S,5S)-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]-3-methoxy-N-methylbenzenesulfonamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide ChEBI ID CHEBI:130954 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H36N2O7S2 Net Charge 0 Average Mass 564.717 Monoisotopic Mass 564.19639 InChI InChI=1S/C27H36N2O7S2/c1-19-16-29(20(2)18-30)38(33,34)27-13-12-22(21-8-5-6-9-21)14-25(27)36-26(19)17-28(3)37(31,32)24-11-7-10-23(15-24)35-4/h7-8,10-15,19-20,26,30H,5-6,9,16-18H2,1-4H3/t19-,20+,26+/m0/s1 InChIKey UASLWQYOELVMOC-OUDXUNEISA-N SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCC3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)OC)[C@H](C)CO ChEBI Ontology Outgoing N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:130954) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-42502 LINCS View more database links