CHEBI:128843 - 4-(dimethylamino)-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]butanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(dimethylamino)-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]butanamide
ChEBI ID CHEBI:128843
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H43F3N4O4
Net Charge 0
Average Mass 592.694
Monoisotopic Mass 592.32364
InChI InChI=1S/C31H43F3N4O4/c1-21-17-38(22(2)20-39)30(41)16-24-15-26(35-29(40)7-6-14-36(3)4)12-13-27(24)42-28(21)19-37(5)18-23-8-10-25(11-9-23)31(32,33)34/h8-13,15,21-22,28,39H,6-7,14,16-20H2,1-5H3,(H,35,40)/t21-,22+,28+/m1/s1
InChIKey BJJGXPXCVKSWPC-WENCSYSZSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 4-(dimethylamino)-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]butanamide (CHEBI:128843) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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