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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-[[(2R,3R)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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Accession:CHEBI:111570 term browser browse the term
Definition:A sulfonamide that has formula C26H35ClN4O6S.
Synonyms:related_synonym: Formula=C26H35ClN4O6S;   InChI=1S/C26H35ClN4O6S/c1-16(2)28-26(34)30(5)14-23-17(3)13-31(18(4)15-32)25(33)21-7-6-8-22(24(21)37-23)29-38(35,36)20-11-9-19(27)10-12-20/h6-12,16-18,23,29,32H,13-15H2,1-5H3,(H,28,34)/t17-,18-,23+/m1/s1;   InChIKey=ROXPMFGZZQEKHB-PNCHPQGNSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl)O[C@H]1CN(C)C(=O)NC(C)C)[C@H](C)CO
 xref: LINCS:LSM-22984

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  CHEBI ontology 2
    chemical entity 2
      atom 2
        nonmetal atom 2
          sulfur atom 1
            sulfur molecular entity 1
              organosulfur compound 1
                sulfonamide 0
                  1-[[(2R,3R)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      chalcogen 2
                        oxygen atom 1
                          oxygen molecular entity 1
                            hydroxides 1
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfonic acid 0
                                      sulfonic acid derivative 0
                                        sulfonamide 0
                                          1-[[(2R,3R)-10-[(4-chlorophenyl)sulfonylamino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-propan-2-ylurea 0
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