CHEBI:118080 - 2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide

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ChEBI Name 2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide
ChEBI ID CHEBI:118080
Stars This entity has been manually annotated by a third party.
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Formula C19H21FN4O5S
Net Charge 0
Average Mass 436.459
Monoisotopic Mass 436.12167
InChI InChI=1S/C19H21FN4O5S/c20-13-1-4-16(5-2-13)30(27,28)24-17-6-3-15(29-18(17)11-25)9-19(26)22-10-14-7-8-21-12-23-14/h1-8,12,15,17-18,24-25H,9-11H2,(H,22,26)/t15-,17-,18+/m0/s1
InChIKey NDIHUDUSPABKLT-RYQLBKOJSA-N
SMILES C1=C[C@@H]([C@H](O[C@@H]1CC(=O)NCC2=NC=NC=C2)CO)NS(=O)(=O)C3=CC=C(C=C3)F
ChEBI Ontology
Outgoing 2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-pyrimidinylmethyl)acetamide (CHEBI:118080) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-29529 LINCS
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