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CHEBI:124156 - N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

ChEBI IDCHEBI:124156
ChEBI NameN-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
Stars
DownloadsMolfile
FormulaC30H35N3O7S
Net Charge0
Average Mass581.691
Monoisotopic Mass581.21957
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C30H35N3O7S/c1-20-15-33(21(2)18-34)30(35)25-14-23(31-41(36,37)24-7-5-4-6-8-24)10-12-26(25)40-29(20)17-32(3)16-22-9-11-27-28(13-22)39-19-38-27/h4-14,20-21,29,31,34H,15-19H2,1-3H3/t20-,21-,29-/m1/s1
InChIKeyYPROYXXRHQGNKF-GVNDJSPXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:124156) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35598LINCS