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CHEBI:99125 - N-[2-[(2S,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide

ChEBI IDCHEBI:99125
ChEBI NameN-[2-[(2S,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
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DownloadsMolfile
FormulaC22H27ClN4O4
Net Charge0
Average Mass446.935
Monoisotopic Mass446.17208
SMILESO=C(Cc1ccccn1)NCC[C@@H]1CC[C@H](NC(=O)Nc2ccc(Cl)cc2)[C@H](CO)O1
InChIInChI=1S/C22H27ClN4O4/c23-15-4-6-16(7-5-15)26-22(30)27-19-9-8-18(31-20(19)14-28)10-12-25-21(29)13-17-3-1-2-11-24-17/h1-7,11,18-20,28H,8-10,12-14H2,(H,25,29)(H2,26,27,30)/t18-,19-,20-/m0/s1
InChIKeyJTIOTWTUDVMQPE-UFYCRDLUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-[(2S,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide (CHEBI:99125) is a C-glycosyl compound (CHEBI:20857)
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