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CHEBI:106350 - N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide

ChEBI IDCHEBI:106350
ChEBI NameN-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide
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FormulaC26H32N2O5S
Net Charge0
Average Mass484.618
Monoisotopic Mass484.20319
SMILESCCC(=O)N(C)C[C@@H]1Oc2cc(C#Cc3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C26H32N2O5S/c1-5-26(30)27(4)17-24-19(2)16-28(20(3)18-29)34(31,32)25-14-13-22(15-23(25)33-24)12-11-21-9-7-6-8-10-21/h6-10,13-15,19-20,24,29H,5,16-18H2,1-4H3/t19-,20-,24-/m0/s1
InChIKeyRTCSRSPLRRSOHD-SKPFHBQLSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide (CHEBI:106350) is a aromatic ether (CHEBI:35618)
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