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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:4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
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Accession:CHEBI:130818 term browser browse the term
Definition:An aromatic amide that has formula C23H38N4O6S.
Synonyms:related_synonym: Formula=C23H38N4O6S;   InChI=1S/C23H38N4O6S/c1-16-13-27(17(2)15-28)23(30)19-12-18(24-22(29)8-7-11-25(3)4)9-10-20(19)33-21(16)14-26(5)34(6,31)32/h9-10,12,16-17,21,28H,7-8,11,13-15H2,1-6H3,(H,24,29)/t16-,17+,21+/m0/s1;   InChIKey=PSOBHRQFTWDSLH-CSODHUTKSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H]1CN(C)S(=O)(=O)C)[C@H](C)CO
 xref: LINCS:LSM-42367


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              amide 0
                aromatic amide 0
                  4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic aromatic compound 0
                                  aromatic amide 0
                                    4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide 0
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