CHEBI:99526 - 2-fluoro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-fluoro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
ChEBI ID CHEBI:99526
Stars This entity has been manually annotated by a third party.
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Formula C23H30F2N2O5S
Net Charge 0
Average Mass 484.558
Monoisotopic Mass 484.18435
InChI InChI=1S/C23H30F2N2O5S/c1-16(22(32-4)14-26(3)23(29)20-7-5-6-8-21(20)25)13-27(17(2)15-28)33(30,31)19-11-9-18(24)10-12-19/h5-12,16-17,22,28H,13-15H2,1-4H3/t16-,17+,22-/m0/s1
InChIKey PIEMZAFCKVBYBS-JKSBSHDWSA-N
SMILES C[C@@H](CN([C@H](C)CO)S(=O)(=O)C1=CC=C(C=C1)F)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC
ChEBI Ontology
Outgoing 2-fluoro-N-[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide (CHEBI:99526) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-10905 LINCS
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