CHEBI:102607 - 1-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea
ChEBI ID CHEBI:102607
Stars This entity has been manually annotated by a third party.
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Formula C23H28F2N4O5
Net Charge 0
Average Mass 478.490
Monoisotopic Mass 478.20278
InChI InChI=1S/C23H28F2N4O5/c1-33-16-5-3-15(4-6-16)27-23(32)28-19-9-7-17(34-21(19)13-30)10-11-26-22(31)29-20-12-14(24)2-8-18(20)25/h2-6,8,12,17,19,21,30H,7,9-11,13H2,1H3,(H2,26,29,31)(H2,27,28,32)/t17-,19-,21+/m1/s1
InChIKey CXRYDROHJOKZNG-QFUCXCTJSA-N
SMILES COC1=CC=C(C=C1)NC(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CCNC(=O)NC3=C(C=CC(=C3)F)F
ChEBI Ontology
Outgoing 1-[(2R,3R,6R)-6-[2-[[(2,5-difluoroanilino)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(4-methoxyphenyl)urea (CHEBI:102607) is a C-glycosyl compound (CHEBI:20857)
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