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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)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
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Accession:CHEBI:127267 term browser browse the term
Definition:A naphthalene that has formula C28H34N4O6S.
Synonyms:related_synonym: Formula=C28H34N4O6S;   InChI=1S/C28H34N4O6S/c1-18-15-32(19(2)17-33)27(34)22-12-8-14-24(30-39(4,36)37)26(22)38-25(18)16-31(3)28(35)29-23-13-7-10-20-9-5-6-11-21(20)23/h5-14,18-19,25,30,33H,15-17H2,1-4H3,(H,29,35)/t18-,19-,25+/m1/s1;   InChIKey=ZCTHAUMPHRHCFX-RRQZXNHTSA-N;   SMILES=C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NS(=O)(=O)C)O[C@H]1CN(C)C(=O)NC3=CC=CC4=CC=CC=C43)[C@H](C)CO
 xref: LINCS:LSM-38827


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              bicyclic compound 0
                carbobicyclic compound 0
                  naphthalenes 0
                    1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea 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
                                carbocyclic compound 0
                                  carbopolycyclic compound 0
                                    carbobicyclic compound 0
                                      naphthalenes 0
                                        1-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-10-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea 0
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