CHEBI:108765 - 4-fluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-fluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide
ChEBI ID CHEBI:108765
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H28FN3O5S
Net Charge 0
Average Mass 465.540
Monoisotopic Mass 465.17337
InChI InChI=1S/C22H28FN3O5S/c1-14-12-26(15(2)13-27)22(28)18-5-4-6-19(21(18)31-20(14)11-24-3)25-32(29,30)17-9-7-16(23)8-10-17/h4-10,14-15,20,24-25,27H,11-13H2,1-3H3/t14-,15-,20+/m1/s1
InChIKey RAWZADNKXQBMBA-SXGZJXTBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing 4-fluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]benzenesulfonamide (CHEBI:108765) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-20164 LINCS
View more database links