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CHEBI:111696 - 1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:111696
ChEBI Name1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
Stars
DownloadsMolfile
FormulaC28H36F3N5O5
Net Charge0
Average Mass579.620
Monoisotopic Mass579.26685
SMILESCC(C)NC(=O)N(C)C[C@H]1Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C28H36F3N5O5/c1-16(2)32-27(40)35(5)14-24-17(3)13-36(18(4)15-37)25(38)22-12-21(10-11-23(22)41-24)34-26(39)33-20-8-6-19(7-9-20)28(29,30)31/h6-12,16-18,24,37H,13-15H2,1-5H3,(H,32,40)(H2,33,34,39)/t17-,18+,24-/m1/s1
InChIKeyGUUFQQDCAZBWHX-NXMSCROESA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:111696) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-23110LINCS