CHEBI:102528 - 4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide

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ChEBI Name 4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide
ChEBI ID CHEBI:102528
Stars This entity has been manually annotated by a third party.
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Formula C20H23FN4O4
Net Charge 0
Average Mass 402.420
Monoisotopic Mass 402.17033
InChI InChI=1S/C20H23FN4O4/c21-14-3-1-13(2-4-14)20(28)25-17-6-5-16(29-18(17)11-26)9-19(27)23-10-15-7-8-22-12-24-15/h1-4,7-8,12,16-18,26H,5-6,9-11H2,(H,23,27)(H,25,28)/t16-,17+,18+/m1/s1
InChIKey KXCVLZMSFBFHGZ-SQNIBIBYSA-N
SMILES C1C[C@@H]([C@@H](O[C@H]1CC(=O)NCC2=NC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-pyrimidinylmethylamino)ethyl]-3-oxanyl]benzamide (CHEBI:102528) is a C-glycosyl compound (CHEBI:20857)
Manual Xref Database
LSM-13875 LINCS
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