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ONTOLOGY REPORT - ANNOTATIONS


Term:N(2)-[3-(2-\{2-[(\{1-[(1-\{3-[2-(2-\{[4-(indol-3-yl)butanoyl]amino\}ethoxy)ethoxy]propanoyl\}piperidin-4-yl)carbonyl]piperidin-4-yl\}carbonyl)amino]ethoxy\}ethoxy)propanoyl]-N(6)-(5-nitro-2-furoyl)lysinamide
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Accession:CHEBI:63105 term browser browse the term
Definition:A dipeptide that consists of two piperidine-4-carboxylic acid units (connected via amide linkages) where the amino terminus is acylated by a 3-[2-(2-{[4-(indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl group and the carboxy terminus is formally condensed with the amino group of 3-[2-(2-aminoethoxy)ethoxy]propanoic acid, the carboxy group of which is in turn formally condensed with the alpha-amino group of N(6)-5-nitrofuroyllysine.
Synonyms:exact_synonym: N(2)-[3-(2-{2-[({1-[(1-{3-[2-(2-{[4-(1H-indol-3-yl)butanoyl]amino}ethoxy)ethoxy]propanoyl}piperidin-4-yl)carbonyl]piperidin-4-yl}carbonyl)amino]ethoxy}ethoxy)propanoyl]-N(6)-(5-nitro-2-furoyl)lysinamide
 related_synonym: Formula=C49H71N9O14;   InChI=1S/C49H71N9O14/c50-46(62)40(9-3-4-19-52-48(64)41-11-12-45(72-41)58(66)67)55-43(60)17-26-68-30-32-71-29-21-53-47(63)35-13-24-57(25-14-35)49(65)36-15-22-56(23-16-36)44(61)18-27-69-31-33-70-28-20-51-42(59)10-5-6-37-34-54-39-8-2-1-7-38(37)39/h1-2,7-8,11-12,34-36,40,54H,3-6,9-10,13-33H2,(H2,50,62)(H,51,59)(H,52,64)(H,53,63)(H,55,60);   InChIKey=FWSIAECUYMKPSR-UHFFFAOYSA-N;   SMILES=NC(=O)C(CCCCNC(=O)c1ccc(o1)[N+]([O-])=O)NC(=O)CCOCCOCCNC(=O)C1CCN(CC1)C(=O)C1CCN(CC1)C(=O)CCOCCOCCNC(=O)CCCc1c[nH]c2ccccc12
 xref: PMID:21944756 "Europe PMC"


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  CHEBI ontology 19596
    chemical entity 19594
      group 19509
        inorganic group 18992
          nitro group 7041
            nitro compound 7041
              C-nitro compound 6831
                N(2)-[3-(2-\{2-[(\{1-[(1-\{3-[2-(2-\{[4-(indol-3-yl)butanoyl]amino\}ethoxy)ethoxy]propanoyl\}piperidin-4-yl)carbonyl]piperidin-4-yl\}carbonyl)amino]ethoxy\}ethoxy)propanoyl]-N(6)-(5-nitro-2-furoyl)lysinamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19596
    subatomic particle 19592
      composite particle 19592
        hadron 19592
          baryon 19592
            nucleon 19592
              atomic nucleus 19592
                atom 19592
                  main group element atom 19471
                    p-block element atom 19471
                      carbon group element atom 19345
                        carbon atom 19337
                          organic molecular entity 19337
                            organic group 18299
                              organic divalent group 18289
                                organodiyl group 18289
                                  carbonyl group 18176
                                    carbonyl compound 18176
                                      carboxylic acid 17840
                                        carboacyl group 16924
                                          univalent carboacyl group 16924
                                            carbamoyl group 16602
                                              carboxamide 16602
                                                peptide 9286
                                                  oligopeptide 1065
                                                    dipeptide 255
                                                      N(2)-[3-(2-\{2-[(\{1-[(1-\{3-[2-(2-\{[4-(indol-3-yl)butanoyl]amino\}ethoxy)ethoxy]propanoyl\}piperidin-4-yl)carbonyl]piperidin-4-yl\}carbonyl)amino]ethoxy\}ethoxy)propanoyl]-N(6)-(5-nitro-2-furoyl)lysinamide 0
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