CHEBI:96564 - 4-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
ChEBI ID CHEBI:96564
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H29FN4O5S
Net Charge 0
Average Mass 528.598
Monoisotopic Mass 528.18427
InChI InChI=1S/C26H29FN4O5S/c1-17-14-31(18(2)16-32)26(33)23-12-20(19-8-10-28-11-9-19)13-29-25(23)36-24(17)15-30(3)37(34,35)22-6-4-21(27)5-7-22/h4-13,17-18,24,32H,14-16H2,1-3H3/t17-,18+,24+/m0/s1
InChIKey OLGOXCLKPVLFFW-HOOSLVGPSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CC=NC=C3)O[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)F)[C@H](C)CO
ChEBI Ontology
Outgoing 4-fluoro-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pyridin-4-yl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:96564) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-7943 LINCS
View more database links