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CHEBI:96252 - 2-cyclopropyl-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide

ChEBI IDCHEBI:96252
ChEBI Name2-cyclopropyl-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide
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DownloadsMolfile
FormulaC27H36N2O5S
Net Charge0
Average Mass500.661
Monoisotopic Mass500.23449
SMILESCc1ccc(-c2ccc3c(c2)O[C@@H](CN(C)C(=O)CC2CC2)[C@@H](C)CN([C@@H](C)CO)S3(=O)=O)cc1
InChIInChI=1S/C27H36N2O5S/c1-18-5-9-22(10-6-18)23-11-12-26-24(14-23)34-25(16-28(4)27(31)13-21-7-8-21)19(2)15-29(20(3)17-30)35(26,32)33/h5-6,9-12,14,19-21,25,30H,7-8,13,15-17H2,1-4H3/t19-,20-,25-/m0/s1
InChIKeyGCPZFZZKEDFKSA-RLSLOFABSA-N
ChEBI Ontology
Outgoing Relation(s)
2-cyclopropyl-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylacetamide (CHEBI:96252) is a toluenes (CHEBI:27024)
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