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CHEBI:129858 - N-[[(4S,5S)-8-(1-cyclohexenyl)-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-(3-pyridinyl)acetamide

ChEBI IDCHEBI:129858
ChEBI NameN-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide
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DownloadsMolfile
FormulaC28H37N3O5S
Net Charge0
Average Mass527.687
Monoisotopic Mass527.24539
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Cc2cccnc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C28H37N3O5S/c1-20-17-31(21(2)19-32)37(34,35)27-12-11-24(23-9-5-4-6-10-23)15-25(27)36-26(20)18-30(3)28(33)14-22-8-7-13-29-16-22/h7-9,11-13,15-16,20-21,26,32H,4-6,10,14,17-19H2,1-3H3/t20-,21+,26+/m0/s1
InChIKeyINVIOEDNEQSFGP-LZCXECNNSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-(3-pyridinyl)acetamide (CHEBI:129858) is a aromatic ether (CHEBI:35618)
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