CHEBI:124684 - N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
ChEBI ID CHEBI:124684
Stars This entity has been manually annotated by a third party.
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Formula C26H34F3N3O5S
Net Charge 0
Average Mass 557.628
Monoisotopic Mass 557.21713
InChI InChI=1S/C26H34F3N3O5S/c1-17-13-32(18(2)16-33)25(34)12-20-11-22(30-38(4,35)36)9-10-23(20)37-24(17)15-31(3)14-19-5-7-21(8-6-19)26(27,28)29/h5-11,17-18,24,30,33H,12-16H2,1-4H3/t17-,18+,24-/m0/s1
InChIKey YVPPWHBSXPUNSW-RHGYRFJNSA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:124684) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36126 LINCS
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