EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:123765 - 4-chloro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

ChEBI IDCHEBI:123765
ChEBI Name4-chloro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
Stars
DownloadsMolfile
FormulaC28H33ClN4O5S
Net Charge0
Average Mass573.115
Monoisotopic Mass572.18602
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H]1CN(C)Cc1ccncc1
InChIInChI=1S/C28H33ClN4O5S/c1-19-15-33(20(2)18-34)28(35)25-14-23(31-39(36,37)24-7-4-22(29)5-8-24)6-9-26(25)38-27(19)17-32(3)16-21-10-12-30-13-11-21/h4-14,19-20,27,31,34H,15-18H2,1-3H3/t19-,20-,27+/m0/s1
InChIKeyRTDBYDGQKCGXQZ-OWOAZTCBSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chloro-N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:123765) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35207LINCS