EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:106360 - N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide

ChEBI IDCHEBI:106360
ChEBI NameN-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC27H36N2O7S2
Net Charge0
Average Mass564.726
Monoisotopic Mass564.19639
SMILESCCCC#Cc1ccc2c(c1)O[C@H](CN(C)S(=O)(=O)c1cccc(OC)c1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChIInChI=1S/C27H36N2O7S2/c1-6-7-8-10-22-13-14-27-25(15-22)36-26(20(2)17-29(21(3)19-30)38(27,33)34)18-28(4)37(31,32)24-12-9-11-23(16-24)35-5/h9,11-16,20-21,26,30H,6-7,17-19H2,1-5H3/t20-,21-,26-/m1/s1
InChIKeyMIBYCFWLJSOUAV-IPVFLDMMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide (CHEBI:106360) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-17720LINCS