CHEBI:102445 - N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide

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ChEBI Name N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide
ChEBI ID CHEBI:102445
Stars This entity has been manually annotated by a third party.
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Formula C22H32FN3O4
Net Charge 0
Average Mass 421.506
Monoisotopic Mass 421.23768
InChI InChI=1S/C22H32FN3O4/c23-17-8-4-5-9-18(17)25-22(29)26-19-11-10-16(30-20(19)14-27)12-13-24-21(28)15-6-2-1-3-7-15/h4-5,8-9,15-16,19-20,27H,1-3,6-7,10-14H2,(H,24,28)(H2,25,26,29)/t16-,19+,20-/m1/s1
InChIKey ABKGFAHRWOKBSI-LSTHTHJFSA-N
SMILES C1CCC(CC1)C(=O)NCC[C@H]2CC[C@@H]([C@H](O2)CO)NC(=O)NC3=CC=CC=C3F
ChEBI Ontology
Outgoing N-[2-[(2R,5S,6S)-5-[[(2-fluoroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclohexanecarboxamide (CHEBI:102445) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
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