CHEBI:124643 - 4-fluoro-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-fluoro-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide
ChEBI ID CHEBI:124643
Stars This entity has been manually annotated by a third party.
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Formula C29H35FN4O5S
Net Charge 0
Average Mass 570.678
Monoisotopic Mass 570.23122
InChI InChI=1S/C29H35FN4O5S/c1-20-16-34(21(2)19-35)29(36)15-23-14-25(32-40(37,38)26-7-4-24(30)5-8-26)6-9-27(23)39-28(20)18-33(3)17-22-10-12-31-13-11-22/h4-14,20-21,28,32,35H,15-19H2,1-3H3/t20-,21-,28-/m1/s1
InChIKey KBGZPWAPJDTCOK-UMQWNRPGSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)O[C@@H]1CN(C)CC4=CC=NC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing 4-fluoro-N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]benzenesulfonamide (CHEBI:124643) is a sulfonamide (CHEBI:35358)
Manual Xref Database
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