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CHEBI:126478 - N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:126478
ChEBI NameN-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC29H32Cl2N4O4
Net Charge0
Average Mass571.505
Monoisotopic Mass570.18006
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C29H32Cl2N4O4/c1-18-14-35(19(2)17-36)29(38)23-13-22(33-28(37)21-8-10-32-11-9-21)5-7-26(23)39-27(18)16-34(3)15-20-4-6-24(30)25(31)12-20/h4-13,18-19,27,36H,14-17H2,1-3H3,(H,33,37)/t18-,19+,27+/m1/s1
InChIKeyGNLIZSFOCYRQDY-RYTUXRKISA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:126478) is a pyridinecarboxamide (CHEBI:25529)
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