CHEBI:124808 - 1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
ChEBI ID CHEBI:124808
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H33F3N4O6S
Net Charge 0
Average Mass 586.626
Monoisotopic Mass 586.20729
InChI InChI=1S/C26H33F3N4O6S/c1-16-13-33(17(2)15-34)24(35)12-18-11-21(31-40(4,37)38)9-10-22(18)39-23(16)14-32(3)25(36)30-20-7-5-19(6-8-20)26(27,28)29/h5-11,16-17,23,31,34H,12-15H2,1-4H3,(H,30,36)/t16-,17-,23-/m0/s1
InChIKey ULBVSTNRUTTXDI-QQMNAOGKSA-N
SMILES C[C@H]1CN(C(=O)CC2=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,3S)-5-[(2S)-1-hydroxypropan-2-yl]-9-(methanesulfonamido)-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:124808) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-36250 LINCS
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