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CHEBI:128489 - N'-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide

ChEBI IDCHEBI:128489
ChEBI NameN'-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide
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DownloadsMolfile
FormulaC38H48F3N5O5
Net Charge0
Average Mass711.826
Monoisotopic Mass711.36075
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C38H48F3N5O5/c1-25-21-46(26(2)24-47)37(50)20-28-19-30(43-35(48)11-5-4-6-12-36(49)44-32-10-8-7-9-31(32)42)17-18-33(28)51-34(25)23-45(3)22-27-13-15-29(16-14-27)38(39,40)41/h7-10,13-19,25-26,34,47H,4-6,11-12,20-24,42H2,1-3H3,(H,43,48)(H,44,49)/t25-,26+,34+/m1/s1
InChIKeySTCNQGKHPZHYJD-BCIXQDHQSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide (CHEBI:128489) is a (trifluoromethyl)benzenes (CHEBI:83565)
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