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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea
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Accession:CHEBI:130379 term browser browse the term
Definition:An aromatic ether that has formula C21H34N4O6S.
Synonyms:related_synonym: Formula=C21H34N4O6S;   InChI=1S/C21H34N4O6S/c1-13(2)22-21(28)23-16-7-8-18-17(9-16)20(27)25(15(4)12-26)10-14(3)19(31-18)11-24(5)32(6,29)30/h7-9,13-15,19,26H,10-12H2,1-6H3,(H2,22,23,28)/t14-,15-,19+/m0/s1;   InChIKey=IGDQWSJWXZKUIQ-YZVOILCLSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC(C)C)O[C@@H]1CN(C)S(=O)(=O)C)[C@@H](C)CO
 xref: LINCS:LSM-41928


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Term Annotations click to browse term
  CHEBI ontology 22194
    chemical entity 22193
      group 22089
        polyatomic entity 22089
          molecule 21688
            organic molecule 21664
              organic cyclic compound 21273
                organic aromatic compound 20757
                  aromatic ether 16762
                    1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    main group molecular entity 22120
                      p-block molecular entity 22120
                        carbon group molecular entity 21921
                          organic molecular entity 21847
                            heteroorganic entity 21503
                              organochalcogen compound 20992
                                organooxygen compound 20834
                                  ether 18193
                                    aromatic ether 16762
                                      1-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea 0
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