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CHEBI:118331 - N-[2-[(2S,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide

ChEBI IDCHEBI:118331
ChEBI NameN-[2-[(2S,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide
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FormulaC21H30ClN3O5
Net Charge0
Average Mass439.940
Monoisotopic Mass439.18740
SMILESO=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO
InChIInChI=1S/C21H30ClN3O5/c22-15-2-1-3-16(12-15)24-21(28)25-18-5-4-17(30-19(18)13-26)6-9-23-20(27)14-7-10-29-11-8-14/h1-3,12,14,17-19,26H,4-11,13H2,(H,23,27)(H2,24,25,28)/t17-,18-,19-/m0/s1
InChIKeyPBAPATWUXUNVNP-FHWLQOOXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[2-[(2S,5S,6R)-5-[[(3-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-oxanecarboxamide (CHEBI:118331) is a C-glycosyl compound (CHEBI:20857)
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