CHEBI:108806 - 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-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]urea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-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]urea
ChEBI ID CHEBI:108806
Stars This entity has been manually annotated by a third party.
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Formula C31H38F3N5O5
Net Charge 0
Average Mass 617.660
Monoisotopic Mass 617.28250
InChI InChI=1S/C31H38F3N5O5/c1-18-14-39(19(2)17-40)28(41)13-23-12-25(35-30(42)36-29-20(3)37-44-21(29)4)10-11-26(23)43-27(18)16-38(5)15-22-6-8-24(9-7-22)31(32,33)34/h6-12,18-19,27,40H,13-17H2,1-5H3,(H2,35,36,42)/t18-,19-,27+/m1/s1
InChIKey XNWPWURMKBHVTJ-KFDHSVMUSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)O[C@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-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]urea (CHEBI:108806) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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