CHEBI:124129 - N-[(2S,3R)-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]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-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]-4-pyridinecarboxamide
ChEBI ID CHEBI:124129
Stars This entity has been manually annotated by a third party.
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Formula C30H33F3N4O4
Net Charge 0
Average Mass 570.604
Monoisotopic Mass 570.24539
InChI InChI=1S/C30H33F3N4O4/c1-19-15-37(20(2)18-38)29(40)25-14-24(35-28(39)22-10-12-34-13-11-22)8-9-26(25)41-27(19)17-36(3)16-21-4-6-23(7-5-21)30(31,32)33/h4-14,19-20,27,38H,15-18H2,1-3H3,(H,35,39)/t19-,20+,27-/m1/s1
InChIKey OAUQJKHBLAZZLB-IOKPGSKQSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC=NC=C3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C(F)(F)F)[C@@H](C)CO
ChEBI Ontology
Outgoing N-[(2S,3R)-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]-4-pyridinecarboxamide (CHEBI:124129) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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