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CHEBI:113903 - (2S)-4-[(4R,5S)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol

ChEBI IDCHEBI:113903
ChEBI Name(2S)-4-[(4R,5S)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
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DownloadsMolfile
FormulaC26H40N2O5S
Net Charge0
Average Mass492.682
Monoisotopic Mass492.26579
SMILESC[C@H](O)C#Cc1ccc2c(c1)O[C@H](CN(C)CC1CCCCC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
InChIInChI=1S/C26H40N2O5S/c1-19-15-28(20(2)18-29)34(31,32)26-13-12-22(11-10-21(3)30)14-24(26)33-25(19)17-27(4)16-23-8-6-5-7-9-23/h12-14,19-21,23,25,29-30H,5-9,15-18H2,1-4H3/t19-,20-,21+,25-/m1/s1
InChIKeyGRNMGBYBKFXPAP-NAZDKBRTSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-4-[(4R,5S)-5-[[cyclohexylmethyl(methyl)amino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol (CHEBI:113903) is a aromatic ether (CHEBI:35618)
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