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CHEBI:125286 - N-phenylcarbamic acid [(2R,3R,4S,5R,6S)-5-[anilino(oxo)methoxy]-2-(hydroxymethyl)-6-methoxy-3-[oxo-[4-(trifluoromethyl)anilino]methoxy]-4-oxanyl] ester

ChEBI IDCHEBI:125286
ChEBI NameN-phenylcarbamic acid [(2R,3R,4S,5R,6S)-5-[anilino(oxo)methoxy]-2-(hydroxymethyl)-6-methoxy-3-[oxo-[4-(trifluoromethyl)anilino]methoxy]-4-oxanyl] ester
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DownloadsMolfile
FormulaC29H28F3N3O9
Net Charge0
Average Mass619.549
Monoisotopic Mass619.17776
SMILESCO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](OC(=O)Nc2ccccc2)[C@H]1OC(=O)Nc1ccccc1
InChIInChI=1S/C29H28F3N3O9/c1-40-25-24(44-28(39)34-19-10-6-3-7-11-19)23(43-27(38)33-18-8-4-2-5-9-18)22(21(16-36)41-25)42-26(37)35-20-14-12-17(13-15-20)29(30,31)32/h2-15,21-25,36H,16H2,1H3,(H,33,38)(H,34,39)(H,35,37)/t21-,22-,23+,24-,25+/m1/s1
InChIKeyVTBPZZVSTIPNBO-RXFVIIJJSA-N
ChEBI Ontology
Outgoing Relation(s)
N-phenylcarbamic acid [(2R,3R,4S,5R,6S)-5-[anilino(oxo)methoxy]-2-(hydroxymethyl)-6-methoxy-3-[oxo-[4-(trifluoromethyl)anilino]methoxy]-4-oxanyl] ester (CHEBI:125286) is a glycoside (CHEBI:24400)
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