EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128539 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

ChEBI IDCHEBI:128539
ChEBI NameN-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
Stars
DownloadsMolfile
FormulaC24H31Cl2N3O5S
Net Charge0
Average Mass544.501
Monoisotopic Mass543.13615
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H31Cl2N3O5S/c1-15-11-29(16(2)14-30)24(31)18-6-5-7-21(27-35(4,32)33)23(18)34-22(15)13-28(3)12-17-8-9-19(25)20(26)10-17/h5-10,15-16,22,27,30H,11-14H2,1-4H3/t15-,16+,22-/m1/s1
InChIKeyDFZXWWYSPBEGFY-ZMPRRUGASA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:128539) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-40093LINCS