EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:96368 - N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide

ChEBI IDCHEBI:96368
ChEBI NameN-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
Stars
DownloadsMolfile
FormulaC28H37N3O5S
Net Charge0
Average Mass527.687
Monoisotopic Mass527.24539
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Cc2ccncc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C28H37N3O5S/c1-20-17-31(21(2)19-32)37(34,35)27-10-9-24(23-7-5-4-6-8-23)16-25(27)36-26(20)18-30(3)28(33)15-22-11-13-29-14-12-22/h7,9-14,16,20-21,26,32H,4-6,8,15,17-19H2,1-3H3/t20-,21+,26+/m0/s1
InChIKeyDSAVDXHQQHIKAO-LZCXECNNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide (CHEBI:96368) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-7747LINCS