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CHEBI:128112 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide

ChEBI IDCHEBI:128112
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide
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DownloadsMolfile
FormulaC35H39N3O6S
Net Charge0
Average Mass629.779
Monoisotopic Mass629.25596
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C35H39N3O6S/c1-25-21-38(26(2)24-39)35(40)32-20-28(36-45(41,42)31-12-8-5-9-13-31)16-19-33(32)44-34(25)23-37(3)22-27-14-17-30(18-15-27)43-29-10-6-4-7-11-29/h4-20,25-26,34,36,39H,21-24H2,1-3H3/t25-,26-,34-/m1/s1
InChIKeyMURCZWOVERITEN-WAWDLJLISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]benzenesulfonamide (CHEBI:128112) is a aromatic ether (CHEBI:35618)
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