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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:N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide
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Accession:CHEBI:113583 term browser browse the term
Definition:An indole that has formula C34H45N5O5.
Synonyms:related_synonym: Formula=C34H45N5O5;   InChI=1S/C34H45N5O5/c1-22-18-39(23(2)21-40)33(42)28-17-26(35-32(41)16-24-19-37(3)29-13-9-8-12-27(24)29)14-15-30(28)44-31(22)20-38(4)34(43)36-25-10-6-5-7-11-25/h8-9,12-15,17,19,22-23,25,31,40H,5-7,10-11,16,18,20-21H2,1-4H3,(H,35,41)(H,36,43)/t22-,23-,31-/m0/s1;   InChIKey=ZSZRFUWYOKUGNE-BVXAZASISA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CN(C4=CC=CC=C43)C)O[C@H]1CN(C)C(=O)NC5CCCCC5)[C@@H](C)CO
 xref: LINCS:LSM-25015


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Term Annotations click to browse term
  CHEBI ontology 26050
    chemical entity 26029
      atom 26025
        nonmetal atom 25513
          nitrogen atom 22541
            nitrogen molecular entity 22541
              organonitrogen compound 21936
                organonitrogen heterocyclic compound 20350
                  benzopyrrole 10287
                    indoles 9963
                      N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26050
    subatomic particle 26025
      composite particle 26025
        hadron 26025
          baryon 26025
            nucleon 26025
              atomic nucleus 26025
                atom 26025
                  main group element atom 25850
                    p-block element atom 25850
                      carbon group element atom 25447
                        carbon atom 25405
                          organic molecular entity 25405
                            organic molecule 25233
                              organic cyclic compound 24287
                                organic heterocyclic compound 22334
                                  organic heteropolycyclic compound 21329
                                    organic heterobicyclic compound 18572
                                      benzopyrrole 10287
                                        indoles 9963
                                          N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide 0
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