EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:124295 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:124295
ChEBI NameN-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide
Stars
DownloadsMolfile
FormulaC27H31Cl2N3O5S2
Net Charge0
Average Mass612.601
Monoisotopic Mass611.10822
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H31Cl2N3O5S2/c1-17-13-32(18(2)16-33)27(34)21-12-20(30-39(35,36)26-5-4-10-38-26)7-9-24(21)37-25(17)15-31(3)14-19-6-8-22(28)23(29)11-19/h4-12,17-18,25,30,33H,13-16H2,1-3H3/t17-,18-,25-/m1/s1
InChIKeyAATIEZKZMFDISZ-QJMRKGMQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide (CHEBI:124295) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35737LINCS