CHEBI:126172 - N'-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N'-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-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 ID CHEBI:126172
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H48F3N5O5
Net Charge 0
Average Mass 711.815
Monoisotopic Mass 711.36075
InChI InChI=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+/m0/s1
InChIKey STCNQGKHPZHYJD-XDWGWCSASA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCCCC(=O)NC3=CC=CC=C3N)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing N'-(2-aminophenyl)-N-[(2S,3S)-5-[(2R)-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:126172) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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