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CHEBI:113612 - 1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

ChEBI IDCHEBI:113612
ChEBI Name1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea
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DownloadsMolfile
FormulaC24H31FN4O6S
Net Charge0
Average Mass522.599
Monoisotopic Mass522.19483
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@H]1CN(C)S(C)(=O)=O
InChIInChI=1S/C24H31FN4O6S/c1-15-12-29(16(2)14-30)23(31)20-11-19(27-24(32)26-18-7-5-17(25)6-8-18)9-10-21(20)35-22(15)13-28(3)36(4,33)34/h5-11,15-16,22,30H,12-14H2,1-4H3,(H2,26,27,32)/t15-,16-,22+/m1/s1
InChIKeyMLGOEVOOOJSBLY-MCFFVMPBSA-N
ChEBI Ontology
Outgoing Relation(s)
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea (CHEBI:113612) is a ureas (CHEBI:47857)
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