CHEBI:124713 - N-[(2S,3R)-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]-4-pyridinecarboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(2S,3R)-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]-4-pyridinecarboxamide
ChEBI ID CHEBI:124713
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H35F3N4O4
Net Charge 0
Average Mass 584.630
Monoisotopic Mass 584.26104
InChI InChI=1S/C31H35F3N4O4/c1-20-16-38(21(2)19-39)29(40)15-24-14-26(36-30(41)23-10-12-35-13-11-23)8-9-27(24)42-28(20)18-37(3)17-22-4-6-25(7-5-22)31(32,33)34/h4-14,20-21,28,39H,15-19H2,1-3H3,(H,36,41)/t20-,21-,28-/m1/s1
InChIKey SZBXQOJNNBGCEE-UMQWNRPGSA-N
SMILES C[C@@H]1CN(C(=O)CC2=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-[(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]-4-pyridinecarboxamide (CHEBI:124713) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
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