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CHEBI:114141 - 2-cyclopropyl-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

ChEBI IDCHEBI:114141
ChEBI Name2-cyclopropyl-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
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DownloadsMolfile
FormulaC26H38N2O5S
Net Charge0
Average Mass490.666
Monoisotopic Mass490.25014
SMILESCC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)C(=O)CC1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H38N2O5S/c1-18(2)7-6-8-21-11-12-25-23(13-21)33-24(16-27(5)26(30)14-22-9-10-22)19(3)15-28(20(4)17-29)34(25,31)32/h11-13,18-20,22,24,29H,7,9-10,14-17H2,1-5H3/t19-,20+,24-/m1/s1
InChIKeyRFSJWOMDBGLSJS-JXALWOEJSA-N
ChEBI Ontology
Outgoing Relation(s)
2-cyclopropyl-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:114141) is a aromatic ether (CHEBI:35618)
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