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CHEBI:125850 - 1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:125850
ChEBI Name1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC31H43FN4O4
Net Charge0
Average Mass554.707
Monoisotopic Mass554.32683
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CCCCC2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O
InChIInChI=1S/C31H43FN4O4/c1-21-17-36(22(2)20-37)30(38)16-24-15-27(34-31(39)33-26-11-9-25(32)10-12-26)13-14-28(24)40-29(21)19-35(3)18-23-7-5-4-6-8-23/h9-15,21-23,29,37H,4-8,16-20H2,1-3H3,(H2,33,34,39)/t21-,22+,29-/m0/s1
InChIKeyVLABVJXETLVVIO-KERYWQKISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(4-fluorophenyl)urea (CHEBI:125850) is a ureas (CHEBI:47857)
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