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CHEBI:114059 - N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide

ChEBI IDCHEBI:114059
ChEBI NameN-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide
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DownloadsMolfile
FormulaC27H32N4O5S
Net Charge0
Average Mass524.643
Monoisotopic Mass524.20934
SMILESC[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3cncnc3)cc2O[C@H]1CN(C)C(=O)Cc1ccccc1
InChIInChI=1S/C27H32N4O5S/c1-19-15-31(20(2)17-32)37(34,35)26-10-9-22(23-13-28-18-29-14-23)12-24(26)36-25(19)16-30(3)27(33)11-21-7-5-4-6-8-21/h4-10,12-14,18-20,25,32H,11,15-17H2,1-3H3/t19-,20-,25-/m0/s1
InChIKeyLQAOJDLPUWWIJF-RLSLOFABSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide (CHEBI:114059) is a pyrimidines (CHEBI:39447)
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