CHEBI:102414 - 1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea

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ChEBI Name 1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea
ChEBI ID CHEBI:102414
Stars This entity has been manually annotated by a third party.
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Formula C22H32F3N5O5S
Net Charge 0
Average Mass 535.582
Monoisotopic Mass 535.20762
InChI InChI=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+/m1/s1
InChIKey DUWNSMSZAPHBFZ-GJYPPUQNSA-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)S(=O)(=O)C2=CN(C=N2)C)OC
ChEBI Ontology
Outgoing 1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:102414) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13765 LINCS
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