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CHEBI:100558 - 1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea

ChEBI IDCHEBI:100558
ChEBI Name1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea
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FormulaC25H34FN3O5
Net Charge0
Average Mass475.561
Monoisotopic Mass475.24825
SMILESCO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO
InChIInChI=1S/C25H34FN3O5/c1-17(12-29(18(2)15-30)25(31)27-21-8-6-20(26)7-9-21)24(32-4)14-28(3)13-19-5-10-22-23(11-19)34-16-33-22/h5-11,17-18,24,30H,12-16H2,1-4H3,(H,27,31)/t17-,18-,24+/m0/s1
InChIKeyDMFJOGMIMQDBLX-LLJLJFOGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3S)-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-methoxy-2-methylbutyl]-3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]urea (CHEBI:100558) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-11932LINCS