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CHEBI:120118 - 1-[2-[(2S,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(3,5-dimethyl-4-isoxazolyl)urea

ChEBI IDCHEBI:120118
ChEBI Name1-[2-[(2S,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(3,5-dimethyl-4-isoxazolyl)urea
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DownloadsMolfile
FormulaC21H28ClN5O5
Net Charge0
Average Mass465.938
Monoisotopic Mass465.17790
SMILESCc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)Nc2cccc(Cl)c2)[C@@H](CO)O1
InChIInChI=1S/C21H28ClN5O5/c1-12-19(13(2)32-27-12)26-20(29)23-9-8-16-6-7-17(18(11-28)31-16)25-21(30)24-15-5-3-4-14(22)10-15/h3-5,10,16-18,28H,6-9,11H2,1-2H3,(H2,23,26,29)(H2,24,25,30)/t16-,17+,18+/m0/s1
InChIKeyLEANCKNBHBEQEG-RCCFBDPRSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-[(2S,5R,6S)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-(3,5-dimethyl-4-isoxazolyl)urea (CHEBI:120118) is a C-glycosyl compound (CHEBI:20857)
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