CHEBI:96633 - N-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide

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ChEBI Name N-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide
ChEBI ID CHEBI:96633
Stars This entity has been manually annotated by a third party.
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Formula C22H28BrN3O5S
Net Charge 0
Average Mass 526.445
Monoisotopic Mass 525.09330
InChI InChI=1S/C22H28BrN3O5S/c1-15-12-26(16(2)14-27)32(29,30)21-8-7-17(23)10-19(21)31-20(15)13-25(3)22(28)11-18-6-4-5-9-24-18/h4-10,15-16,20,27H,11-14H2,1-3H3/t15-,16-,20+/m1/s1
InChIKey VNTYMDDKAMTNEX-QINHECLXSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CN(C)C(=O)CC3=CC=CC=N3)[C@H](C)CO
ChEBI Ontology
Outgoing N-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(2-pyridinyl)acetamide (CHEBI:96633) is a aromatic ether (CHEBI:35618)
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