CHEBI:128519 - 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
ChEBI ID CHEBI:128519
Stars This entity has been manually annotated by a third party.
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Formula C31H33F4N5O5
Net Charge 0
Average Mass 631.619
Monoisotopic Mass 631.24178
InChI InChI=1S/C31H33F4N5O5/c1-18-15-40(19(2)17-41)28(42)24-5-4-6-25(38-29(43)36-22-11-7-20(8-12-22)31(33,34)35)27(24)45-26(18)16-39(3)30(44)37-23-13-9-21(32)10-14-23/h4-14,18-19,26,41H,15-17H2,1-3H3,(H,37,44)(H2,36,38,43)/t18-,19+,26+/m1/s1
InChIKey WPBPFKXXTRHSGN-MVYHEMRASA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)O[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)[C@@H](C)CO
ChEBI Ontology
Outgoing 3-(4-fluorophenyl)-1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:128519) is a ureas (CHEBI:47857)
Manual Xref Database
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