CHEBI:103223 - 2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide

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ChEBI Name 2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide
ChEBI ID CHEBI:103223
Stars This entity has been manually annotated by a third party.
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Formula C22H27FN4O6S
Net Charge 0
Average Mass 494.538
Monoisotopic Mass 494.16353
InChI InChI=1S/C22H27FN4O6S/c23-15-2-1-3-19(8-15)34(30,31)27-11-17(28)12-32-13-21-20(27)5-4-18(33-21)9-22(29)25-10-16-6-7-24-14-26-16/h1-3,6-8,14,17-18,20-21,28H,4-5,9-13H2,(H,25,29)/t17-,18+,20-,21+/m0/s1
InChIKey FPMJOPUHYZGMQU-IZZBFERCSA-N
SMILES C1C[C@H]2[C@@H](COC[C@H](CN2S(=O)(=O)C3=CC=CC(=C3)F)O)O[C@H]1CC(=O)NCC4=NC=NC=C4
ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-1-(3-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-pyrimidinylmethyl)acetamide (CHEBI:103223) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-14567 LINCS
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