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CHEBI:130078 - 4-cyano-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide

ChEBI IDCHEBI:130078
ChEBI Name4-cyano-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
Stars
DownloadsMolfile
FormulaC31H29F3N4O5S
Net Charge0
Average Mass626.657
Monoisotopic Mass626.18108
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C#N)cc2)Oc2ncc(C#Cc3ccc(C(F)(F)F)cc3)cc2C1=O
InChIInChI=1S/C31H29F3N4O5S/c1-20-17-38(21(2)19-39)30(40)27-14-24(5-4-22-6-10-25(11-7-22)31(32,33)34)16-36-29(27)43-28(20)18-37(3)44(41,42)26-12-8-23(15-35)9-13-26/h6-14,16,20-21,28,39H,17-19H2,1-3H3/t20-,21+,28-/m0/s1
InChIKeyGZRZRSMRWITTTG-GTNJKRJXSA-N
ChEBI Ontology
Outgoing Relation(s)
4-cyano-N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzenesulfonamide (CHEBI:130078) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-41628LINCS