CHEBI:129207 - N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

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ChEBI Name N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
ChEBI ID CHEBI:129207
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H42F3N5O5
Net Charge 0
Average Mass 669.735
Monoisotopic Mass 669.31380
InChI InChI=1S/C35H42F3N5O5/c1-22-18-43(23(2)21-44)33(46)17-26-16-27(40-32(45)14-15-35(36,37)38)12-13-30(26)48-31(22)20-42(3)19-24-8-10-25(11-9-24)34(47)41-29-7-5-4-6-28(29)39/h4-13,16,22-23,31,44H,14-15,17-21,39H2,1-3H3,(H,40,45)(H,41,47)/t22-,23-,31-/m1/s1
InChIKey QQBXNGROOKAAKB-CEFNRUSXSA-N
SMILES C[C@@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)CCC(F)(F)F)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N)[C@H](C)CO
ChEBI Ontology
Outgoing N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:129207) is a benzamides (CHEBI:22702)
Manual Xref Database
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