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CHEBI:130722 - (2R)-2-[(4S,5S)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:130722
ChEBI Name(2R)-2-[(4S,5S)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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FormulaC26H41N3O4S
Net Charge0
Average Mass491.698
Monoisotopic Mass491.28178
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCC2)Oc2cc(C#CCN(C)C)ccc2S1(=O)=O
InChIInChI=1S/C26H41N3O4S/c1-20-16-29(21(2)19-30)34(31,32)26-13-12-22(11-8-14-27(3)4)15-24(26)33-25(20)18-28(5)17-23-9-6-7-10-23/h12-13,15,20-21,23,25,30H,6-7,9-10,14,16-19H2,1-5H3/t20-,21+,25+/m0/s1
InChIKeyDMEPAZNFKDKADQ-BPYKYCOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-5-[[cyclopentylmethyl(methyl)amino]methyl]-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:130722) is a aromatic ether (CHEBI:35618)
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