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CHEBI:117914 - N-[(2S,3S,6R)-6-[2-[[(4-chloroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide

ChEBI IDCHEBI:117914
ChEBI NameN-[(2S,3S,6R)-6-[2-[[(4-chloroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC22H32ClN3O4
Net Charge0
Average Mass437.968
Monoisotopic Mass437.20813
SMILESO=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H32ClN3O4/c23-16-6-8-17(9-7-16)25-22(29)24-13-12-18-10-11-19(20(14-27)30-18)26-21(28)15-4-2-1-3-5-15/h6-9,15,18-20,27H,1-5,10-14H2,(H,26,28)(H2,24,25,29)/t18-,19+,20-/m1/s1
InChIKeyCMUIIZXJLAYAHO-HSALFYBXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S,6R)-6-[2-[[(4-chloroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]cyclohexanecarboxamide (CHEBI:117914) is a C-glycosyl compound (CHEBI:20857)
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