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ONTOLOGY REPORT - ANNOTATIONS


Term:methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate
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Accession:CHEBI:48492 term browser browse the term
Definition:A non-proteinogenic amino acid derivative that is methyl alaninate substituted by a tert-butoxycarbonyl group at the N and a 2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl group at position 3.
Synonyms:exact_synonym: methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydroquinolin-6-yl]alaninate
 related_synonym: Formula=C30H34Cl2N2O4S;   InChI=1S/C30H34Cl2N2O4S/c1-30(2,3)38-29(36)34-25(28(35)37-4)16-18-13-14-23-20(15-18)26(39-19-9-6-5-7-10-19)17-24(33-23)27-21(31)11-8-12-22(27)32/h5-15,20,23-26,33H,16-17H2,1-4H3,(H,34,36);   InChIKey=ZRQWCFBUENRHDC-UHFFFAOYSA-N;   SMILES=COC(=O)C(CC1=CC2C(CC(NC2C=C1)c1c(Cl)cccc1Cl)Sc1ccccc1)NC(=O)OC(C)(C)C;   methyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4-tetrahydro-6-quinolinyl]propanoate
 xref: Patent:EP1870402


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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      application 19361
        fuel 10312
          methanol 2975
            methyl ester 2966
              methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    main group molecular entity 19646
                      s-block molecular entity 19408
                        hydrogen molecular entity 19397
                          hydrides 18356
                            inorganic hydride 17210
                              chalcogen hydride 2371
                                sulfur hydride 1987
                                  hydrogen sulfide 1987
                                    thiol group 1921
                                      thiol 1921
                                        aryl thiol 329
                                          thiophenol 0
                                            phenylsulfanyl group 0
                                              methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-4-(phenylsulfanyl)-1,2,3,4,4a,8a-hexahydro-6-quinolyl]alaninate 0
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