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CHEBI:128348 - 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]-2-cyclopropyl-N-methylacetamide

ChEBI IDCHEBI:128348
ChEBI NameN-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide
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DownloadsMolfile
FormulaC26H38N2O5S
Net Charge0
Average Mass490.666
Monoisotopic Mass490.25014
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)CC2CC2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChIInChI=1S/C26H38N2O5S/c1-18-15-28(19(2)17-29)34(31,32)25-12-11-22(21-7-5-4-6-8-21)14-23(25)33-24(18)16-27(3)26(30)13-20-9-10-20/h7,11-12,14,18-20,24,29H,4-6,8-10,13,15-17H2,1-3H3/t18-,19+,24+/m0/s1
InChIKeyNXVHKURFMFTURR-XLNZFTOWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-cyclopropyl-N-methylacetamide (CHEBI:128348) is a aromatic ether (CHEBI:35618)
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