EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:125774 - N'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide

ChEBI IDCHEBI:125774
ChEBI NameN'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide
Stars
DownloadsMolfile
FormulaC37H46F3N5O5
Net Charge0
Average Mass697.799
Monoisotopic Mass697.34510
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCCCC(=O)Nc3ccccc3N)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C37H46F3N5O5/c1-24-20-45(25(2)23-46)36(49)29-19-28(42-34(47)11-5-4-6-12-35(48)43-31-10-8-7-9-30(31)41)17-18-32(29)50-33(24)22-44(3)21-26-13-15-27(16-14-26)37(38,39)40/h7-10,13-19,24-25,33,46H,4-6,11-12,20-23,41H2,1-3H3,(H,42,47)(H,43,48)/t24-,25-,33-/m0/s1
InChIKeyIMOPPOUSPRBUCB-TZNXZYKKSA-N
ChEBI Ontology
Outgoing Relation(s)
N'-(2-aminophenyl)-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]heptanediamide (CHEBI:125774) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual XrefsDatabases
LSM-37343LINCS