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CHEBI:127915 - N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:127915
ChEBI NameN-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC30H39FN4O5
Net Charge0
Average Mass554.663
Monoisotopic Mass554.29045
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C30H39FN4O5/c1-19-16-35(20(2)18-36)29(38)25-15-24(32-28(37)21-7-5-4-6-8-21)13-14-26(25)40-27(19)17-34(3)30(39)33-23-11-9-22(31)10-12-23/h9-15,19-21,27,36H,4-8,16-18H2,1-3H3,(H,32,37)(H,33,39)/t19-,20+,27-/m1/s1
InChIKeyURHDKSWFUVDTPZ-IOKPGSKQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide (CHEBI:127915) is a ureas (CHEBI:47857)
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