CHEBI:100058 - N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide
ChEBI ID CHEBI:100058
Stars This entity has been manually annotated by a third party.
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Formula C22H32F3N3O4
Net Charge 0
Average Mass 459.503
Monoisotopic Mass 459.23449
InChI InChI=1S/C22H32F3N3O4/c1-14(19(32-4)12-27(3)20(30)16-5-6-16)11-28(15(2)13-29)21(31)26-18-9-7-17(8-10-18)22(23,24)25/h7-10,14-16,19,29H,5-6,11-13H2,1-4H3,(H,26,31)/t14-,15-,19-/m1/s1
InChIKey GUZASBNVYSIPQO-SPYBWZPUSA-N
SMILES C[C@H](CN([C@H](C)CO)C(=O)NC1=CC=C(C=C1)C(F)(F)F)[C@@H](CN(C)C(=O)C2CC2)OC
ChEBI Ontology
Outgoing N-[(2S,3R)-4-[[(2R)-1-hydroxypropan-2-yl]-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2-methoxy-3-methylbutyl]-N-methylcyclopropanecarboxamide (CHEBI:100058) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-11437 LINCS
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