EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124782 - 4-chloro-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

ChEBI IDCHEBI:124782
ChEBI Name4-chloro-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide
Stars
DownloadsMolfile
FormulaC26H34ClN3O5S
Net Charge0
Average Mass536.094
Monoisotopic Mass535.19077
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2c(NS(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O
InChIInChI=1S/C26H34ClN3O5S/c1-17-13-30(18(2)16-31)26(32)22-5-4-6-23(28-36(33,34)21-11-9-20(27)10-12-21)25(22)35-24(17)15-29(3)14-19-7-8-19/h4-6,9-12,17-19,24,28,31H,7-8,13-16H2,1-3H3/t17-,18+,24-/m0/s1
InChIKeyQGNVKOPRWJDOFN-RHGYRFJNSA-N
ChEBI Ontology
Outgoing Relation(s)
4-chloro-N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide (CHEBI:124782) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-36224LINCS