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CHEBI:124714 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

ChEBI IDCHEBI:124714
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
Stars
DownloadsMolfile
FormulaC30H35F3N6O5
Net Charge0
Average Mass616.641
Monoisotopic Mass616.26210
SMILESCc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1
InChIInChI=1S/C30H35F3N6O5/c1-17-14-39(19(3)16-40)28(42)22-7-6-8-23(35-27(41)24-13-18(2)36-38(24)5)26(22)44-25(17)15-37(4)29(43)34-21-11-9-20(10-12-21)30(31,32)33/h6-13,17,19,25,40H,14-16H2,1-5H3,(H,34,43)(H,35,41)/t17-,19+,25+/m1/s1
InChIKeyUNTDJOMPCZLIBL-MIAKESKMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124714) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-36156LINCS