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CHEBI:124747 - 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:124747
ChEBI Name3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea
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DownloadsMolfile
FormulaC28H38FN5O5
Net Charge0
Average Mass543.640
Monoisotopic Mass543.28570
SMILESCC(C)NC(=O)Nc1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc1ccc(F)cc1)O2
InChIInChI=1S/C28H38FN5O5/c1-17(2)30-27(37)31-23-10-11-24-20(12-23)13-26(36)34(19(4)16-35)14-18(3)25(39-24)15-33(5)28(38)32-22-8-6-21(29)7-9-22/h6-12,17-19,25,35H,13-16H2,1-5H3,(H,32,38)(H2,30,31,37)/t18-,19+,25+/m1/s1
InChIKeyCOELXGSSMKCDHI-WYEJZRMESA-N
ChEBI Ontology
Outgoing Relation(s)
3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methylurea (CHEBI:124747) is a ureas (CHEBI:47857)
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