CHEBI:124723 - 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
ChEBI ID CHEBI:124723
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H31F3N4O6S
Net Charge 0
Average Mass 572.599
Monoisotopic Mass 572.19164
InChI InChI=1S/C25H31F3N4O6S/c1-15-12-32(16(2)14-33)23(34)20-11-19(30-39(4,36)37)9-10-21(20)38-22(15)13-31(3)24(35)29-18-7-5-17(6-8-18)25(26,27)28/h5-11,15-16,22,30,33H,12-14H2,1-4H3,(H,29,35)/t15-,16-,22+/m1/s1
InChIKey FXGMTXOCFPDCBH-MCFFVMPBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H]1CN(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing 1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:124723) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36165 LINCS
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