CHEBI:127896 - N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide
ChEBI ID CHEBI:127896
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H34FN3O4
Net Charge 0
Average Mass 495.587
Monoisotopic Mass 495.25333
InChI InChI=1S/C28H34FN3O4/c1-18-15-32(19(2)17-33)28(35)24-13-22(20-8-5-4-6-9-20)14-30-26(24)36-25(18)16-31(3)27(34)21-10-7-11-23(29)12-21/h7-8,10-14,18-19,25,33H,4-6,9,15-17H2,1-3H3/t18-,19-,25-/m0/s1
InChIKey YQGAKIQJRGADCP-MHPIHPPYSA-N
SMILES C[C@H]1CN(C(=O)C2=C(N=CC(=C2)C3=CCCCC3)O[C@H]1CN(C)C(=O)C4=CC(=CC=C4)F)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:127896) is a carbonyl compound (CHEBI:36586)
N-[[(2R,3S)-8-(1-cyclohexenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-fluoro-N-methylbenzamide (CHEBI:127896) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
LSM-39452 LINCS
View more database links