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CHEBI:119620 - N-[[(4R,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-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-phenylacetamide

ChEBI IDCHEBI:119620
ChEBI NameN-[[(4R,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide
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DownloadsMolfile
FormulaC30H38N2O5S
Net Charge0
Average Mass538.710
Monoisotopic Mass538.25014
SMILESC[C@@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C#CC3CCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C30H38N2O5S/c1-22-19-32(23(2)21-33)38(35,36)29-16-15-26(14-13-24-9-7-8-10-24)17-27(29)37-28(22)20-31(3)30(34)18-25-11-5-4-6-12-25/h4-6,11-12,15-17,22-24,28,33H,7-10,18-21H2,1-3H3/t22-,23+,28+/m1/s1
InChIKeyOOYLJRYZMKTJGR-IWHLBADBSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4R,5R)-8-(2-cyclopentylethynyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:119620) is a acetamides (CHEBI:22160)
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