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CHEBI:100300 - 1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:100300
ChEBI Name1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea
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DownloadsMolfile
FormulaC22H32F3N5O5S
Net Charge0
Average Mass535.589
Monoisotopic Mass535.20762
SMILESCO[C@@H](CN(C)S(=O)(=O)c1cn(C)cn1)[C@@H](C)CN(C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CO
InChIInChI=1S/C22H32F3N5O5S/c1-15(19(35-5)11-29(4)36(33,34)20-12-28(3)14-26-20)10-30(16(2)13-31)21(32)27-18-8-6-17(7-9-18)22(23,24)25/h6-9,12,14-16,19,31H,10-11,13H2,1-5H3,(H,27,32)/t15-,16-,19-/m0/s1
InChIKeyDUWNSMSZAPHBFZ-BXWFABGCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:100300) is a ureas (CHEBI:47857)
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