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CHEBI:128381 - N-[[(4S,5R)-8-(1-cyclohexenyl)-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:128381
ChEBI NameN-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide
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DownloadsMolfile
FormulaC29H38N2O5S
Net Charge0
Average Mass526.699
Monoisotopic Mass526.25014
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCCC3)cc2O[C@H]1CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C29H38N2O5S/c1-21-18-31(22(2)20-32)37(34,35)28-15-14-25(24-12-8-5-9-13-24)17-26(28)36-27(21)19-30(3)29(33)16-23-10-6-4-7-11-23/h4,6-7,10-12,14-15,17,21-22,27,32H,5,8-9,13,16,18-20H2,1-3H3/t21-,22-,27-/m0/s1
InChIKeyYNRAMKWVNRHNLY-BERHBOFZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:128381) is a acetamides (CHEBI:22160)
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