CHEBI:100610 - 2-fluoro-N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-fluoro-N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide
ChEBI ID CHEBI:100610
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H33FN2O5S
Net Charge 0
Average Mass 480.595
Monoisotopic Mass 480.20942
InChI InChI=1S/C24H33FN2O5S/c1-17-10-12-20(13-11-17)33(30,31)27(19(3)16-28)14-18(2)23(32-5)15-26(4)24(29)21-8-6-7-9-22(21)25/h6-13,18-19,23,28H,14-16H2,1-5H3/t18-,19+,23-/m0/s1
InChIKey NDGBDPWBOPYDPZ-YYDVJCTNSA-N
SMILES CC1=CC=C(C=C1)S(=O)(=O)N(C[C@H](C)[C@H](CN(C)C(=O)C2=CC=CC=C2F)OC)[C@H](C)CO
ChEBI Ontology
Outgoing 2-fluoro-N-[(2R,3S)-4-[[(2R)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methylbenzamide (CHEBI:100610) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-11984 LINCS
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