CHEBI:125869 - N-(2-aminophenyl)-4-[[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2-aminophenyl)-4-[[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
ChEBI ID CHEBI:125869
Stars This entity has been manually annotated by a third party.
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Formula C39H43F3N6O5
Net Charge 0
Average Mass 732.793
Monoisotopic Mass 732.32470
InChI InChI=1S/C39H43F3N6O5/c1-24-20-48(25(2)23-49)36(50)19-28-18-31(45-38(52)44-30-14-12-29(13-15-30)39(40,41)42)16-17-34(28)53-35(24)22-47(3)21-26-8-10-27(11-9-26)37(51)46-33-7-5-4-6-32(33)43/h4-18,24-25,35,49H,19-23,43H2,1-3H3,(H,46,51)(H2,44,45,52)/t24-,25-,35+/m1/s1
InChIKey YPKBHAMQCQAOQB-IOAOZTLTSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)CC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N)[C@H](C)CO
ChEBI Ontology
Outgoing N-(2-aminophenyl)-4-[[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:125869) is a benzamides (CHEBI:22702)
Manual Xref Database
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Last Modified
03 March 2016