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CHEBI:124655 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:124655
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
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DownloadsMolfile
FormulaC22H28N4O4
Net Charge0
Average Mass412.490
Monoisotopic Mass412.21106
SMILESCNC[C@@H]1Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C22H28N4O4/c1-14-12-26(15(2)13-27)22(29)17-5-4-6-18(20(17)30-19(14)11-23-3)25-21(28)16-7-9-24-10-8-16/h4-10,14-15,19,23,27H,11-13H2,1-3H3,(H,25,28)/t14-,15-,19-/m0/s1
InChIKeyIQALWFQIGLFPJZ-DOXZYTNZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:124655) is a pyridinecarboxamide (CHEBI:25529)
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