CHEBI:124533 - N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide
ChEBI ID CHEBI:124533
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H34F3N5O5S
Net Charge 0
Average Mass 609.662
Monoisotopic Mass 609.22327
InChI InChI=1S/C28H34F3N5O5S/c1-18-12-36(19(2)16-37)27(38)23-11-22(33-42(39,40)26-15-35(4)17-32-26)9-10-24(23)41-25(18)14-34(3)13-20-5-7-21(8-6-20)28(29,30)31/h5-11,15,17-19,25,33,37H,12-14,16H2,1-4H3/t18-,19+,25+/m0/s1
InChIKey OSESVERSMLPQLU-OSWQYVSFSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-1-methyl-4-imidazolesulfonamide (CHEBI:124533) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-35975 LINCS
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