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ONTOLOGY REPORT - ANNOTATIONS


Term:N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
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Accession:CHEBI:113685 term browser browse the term
Definition:A pyrazine that has formula C21H27N5O4.
Synonyms:related_synonym: Formula=C21H27N5O4;   InChI=1S/C21H27N5O4/c1-13-11-26(14(2)12-27)21(29)15-5-4-6-16(19(15)30-18(13)10-22-3)25-20(28)17-9-23-7-8-24-17/h4-9,13-14,18,22,27H,10-12H2,1-3H3,(H,25,28)/t13-,14-,18+/m1/s1;   InChIKey=TWHSADQACYCNBZ-LBTNJELSSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=NC=CN=C3)O[C@H]1CNC)[C@H](C)CO
 xref: LINCS:LSM-25117


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Term Annotations click to browse term
  CHEBI ontology 23760
    chemical entity 23723
      atom 23709
        nonmetal atom 23359
          nitrogen atom 20389
            nitrogen molecular entity 20389
              organonitrogen compound 20096
                carboxamide 18370
                  secondary carboxamide 214
                    N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23760
    subatomic particle 23709
      composite particle 23709
        hadron 23709
          baryon 23709
            nucleon 23709
              atomic nucleus 23709
                atom 23709
                  main group element atom 23528
                    p-block element atom 23528
                      carbon group element atom 23239
                        carbon atom 23216
                          organic molecular entity 23216
                            organic group 21899
                              organic divalent group 21871
                                organodiyl group 21871
                                  carbonyl group 21843
                                    carbonyl compound 21843
                                      carboxylic acid 20889
                                        carboacyl group 18983
                                          univalent carboacyl group 18983
                                            carbamoyl group 18370
                                              carboxamide 18370
                                                secondary carboxamide 214
                                                  N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide 0
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