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CHEBI:128408 - N'-(2-aminophenyl)-N-[(2R,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]heptanediamide

ChEBI IDCHEBI:128408
ChEBI NameN'-(2-aminophenyl)-N-[(2R,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]heptanediamide
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DownloadsMolfile
FormulaC37H47FN6O6
Net Charge0
Average Mass690.817
Monoisotopic Mass690.35411
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C37H47FN6O6/c1-24-21-44(25(2)23-45)36(48)20-26-19-29(40-34(46)11-5-4-6-12-35(47)42-31-10-8-7-9-30(31)39)17-18-32(26)50-33(24)22-43(3)37(49)41-28-15-13-27(38)14-16-28/h7-10,13-19,24-25,33,45H,4-6,11-12,20-23,39H2,1-3H3,(H,40,46)(H,41,49)(H,42,47)/t24-,25+,33+/m1/s1
InChIKeyJCOTZHVZTJRVID-SQJKUQPUSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(2R,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]heptanediamide (CHEBI:128408) is a ureas (CHEBI:47857)
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