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CHEBI:124699 - N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:124699
ChEBI NameN-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide
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DownloadsMolfile
FormulaC31H41FN4O5
Net Charge0
Average Mass568.690
Monoisotopic Mass568.30610
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)C3CCCCC3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C31H41FN4O5/c1-20-17-36(21(2)19-37)29(38)16-23-15-26(33-30(39)22-7-5-4-6-8-22)13-14-27(23)41-28(20)18-35(3)31(40)34-25-11-9-24(32)10-12-25/h9-15,20-22,28,37H,4-8,16-19H2,1-3H3,(H,33,39)(H,34,40)/t20-,21+,28-/m1/s1
InChIKeyKWOBPQGHYDHVIO-PHVLTXCSSA-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-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclohexanecarboxamide (CHEBI:124699) is a ureas (CHEBI:47857)
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