CHEBI:100905 - 1-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
ChEBI ID CHEBI:100905
Stars This entity has been manually annotated by a third party.
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Formula C23H33N5O5
Net Charge 0
Average Mass 459.540
Monoisotopic Mass 459.24817
InChI InChI=1S/C23H33N5O5/c1-32-19-7-3-2-6-17(19)24-22(30)25-18-9-8-16(33-20(18)15-29)10-13-28-14-21(26-27-28)23(31)11-4-5-12-23/h2-3,6-7,14,16,18,20,29,31H,4-5,8-13,15H2,1H3,(H2,24,25,30)/t16-,18+,20+/m1/s1
InChIKey OLUPXTRBOWIZHH-KPFFTGBYSA-N
SMILES COC1=CC=CC=C1NC(=O)N[C@H]2CC[C@@H](O[C@H]2CO)CCN3C=C(N=N3)C4(CCCC4)O
ChEBI Ontology
Outgoing 1-[(2R,3S,6R)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea (CHEBI:100905) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
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