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CHEBI:98879 - 1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea

ChEBI IDCHEBI:98879
ChEBI Name1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea
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DownloadsMolfile
FormulaC21H31N3O5
Net Charge0
Average Mass405.495
Monoisotopic Mass405.22637
SMILESCOc1cccc(NC(=O)N[C@@H]2CC[C@@H](CC(=O)N3CCCCC3)O[C@@H]2CO)c1
InChIInChI=1S/C21H31N3O5/c1-28-16-7-5-6-15(12-16)22-21(27)23-18-9-8-17(29-19(18)14-25)13-20(26)24-10-3-2-4-11-24/h5-7,12,17-19,25H,2-4,8-11,13-14H2,1H3,(H2,22,23,27)/t17-,18+,19+/m0/s1
InChIKeyLPRUTVLBIHKZIS-IPMKNSEASA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3-oxanyl]-3-(3-methoxyphenyl)urea (CHEBI:98879) is a C-glycosyl compound (CHEBI:20857)
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