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CHEBI:119652 - N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide

ChEBI IDCHEBI:119652
ChEBI NameN-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide
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FormulaC28H33N3O5S
Net Charge0
Average Mass523.655
Monoisotopic Mass523.21409
SMILESCc1ccccc1-c1ccc2c(c1)O[C@@H](CN(C)C(=O)c1ccccn1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O
InChIInChI=1S/C28H33N3O5S/c1-19-9-5-6-10-23(19)22-12-13-27-25(15-22)36-26(17-30(4)28(33)24-11-7-8-14-29-24)20(2)16-31(21(3)18-32)37(27,34)35/h5-15,20-21,26,32H,16-18H2,1-4H3/t20-,21-,26-/m0/s1
InChIKeyUWPUNYQEQGJQBN-WOVHNISZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(2-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridinecarboxamide (CHEBI:119652) is a pyridinecarboxamide (CHEBI:25529)
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