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CHEBI:124507 - N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide

ChEBI IDCHEBI:124507
ChEBI NameN-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
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DownloadsMolfile
FormulaC29H35Cl2N5O4
Net Charge0
Average Mass588.536
Monoisotopic Mass587.20661
SMILESCc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)n(C)n1
InChIInChI=1S/C29H35Cl2N5O4/c1-17-13-36(19(3)16-37)29(39)21-7-6-8-24(32-28(38)25-11-18(2)33-35(25)5)27(21)40-26(17)15-34(4)14-20-9-10-22(30)23(31)12-20/h6-12,17,19,26,37H,13-16H2,1-5H3,(H,32,38)/t17-,19+,26-/m0/s1
InChIKeyUUINWFIMSXKYJK-RYGBOPQRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide (CHEBI:124507) is a dichlorobenzene (CHEBI:23697)
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