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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:CGP-42112A
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Accession:CHEBI:147302 term browser browse the term
Definition:A hexapeptide consisting of L-tyrosine, L-lysine, L-histidine, L-proline and L-isoleucine amino acid residues coupled in sequence and in which the amino group of the L-tyrosyl residue is substituted by a (pyridin-3-ylcarbonyl)nitrilo group and in which the L-lysyl side chain amino group is substituted by a {N(2)-[(benzyloxy)carbonyl]-L-arginyl}nitrilo group. It is a potent angiotensin II receptor type 2 (AT2 receptor) agonist.
Synonyms:exact_synonym: N(6)-{N(2)-[(benzyloxy)carbonyl]-L-arginyl}-N(2)-[N-(pyridin-3-ylcarbonyl)-L-tyrosyl]-L-lysyl-L-histidyl-L-prolyl-L-isoleucine
 related_synonym: CGP-42112;   CGP42112A;   Formula=C52H69N13O11;   InChI=1S/C52H69N13O11/c1-3-32(2)43(50(73)74)64-48(71)42-17-11-25-65(42)49(72)41(27-36-29-56-31-59-36)62-46(69)39(60-47(70)40(26-33-18-20-37(66)21-19-33)61-44(67)35-14-9-22-55-28-35)15-7-8-23-57-45(68)38(16-10-24-58-51(53)54)63-52(75)76-30-34-12-5-4-6-13-34/h4-6,9,12-14,18-22,28-29,31-32,38-43,66H,3,7-8,10-11,15-17,23-27,30H2,1-2H3,(H,56,59)(H,57,68)(H,60,70)(H,61,67)(H,62,69)(H,63,75)(H,64,71)(H,73,74)(H4,53,54,58)/t32-,38-,39-,40-,41-,42-,43-/m0/s1;   InChIKey=UXGNARZDONUMMK-LRMQDCNJSA-N;   N(6)-[[(phenylmethoxy)carbonyl]-L-Arg-]-N(2)-[[(pyridin-3-yl)carbonyl]-L-Tyr-]-L-Lys-L-His-L-Pro-L-Ile-OH;   N(6)-{N(2)-[(benzyloxy)carbonyl]-L-arginyl}-N(2)-[N-(pyridine-3-carbonyl)-L-tyrosyl]-L-lysyl-L-histidyl-L-prolyl-L-isoleucine;   Nalpha-nicotinoyl-Tyr-(Nalpha-Cbz-Arg)-Lys-His-Pro-Ile;   SMILES=N1(C([C@@H](NC([C@@H](NC([C@@H](NC(C=2C=NC=CC2)=O)CC=3C=CC(O)=CC3)=O)CCCCNC([C@@H](NC(=O)OCC4=CC=CC=C4)CCCNC(=N)N)=O)=O)CC=5NC=NC5)=O)[C@H](C(N[C@@H]([C@H](CC)C)C(=O)O)=O)CCC1
 xref: CAS:127060-75-7
 xref_mesh: MESH:C060894
 xref: PMID:11454929;   PMID:12689346;   PMID:14615403;   PMID:16380464;   PMID:21803946;   PMID:23201312;   PMID:24712284;   PMID:24957202;   PMID:25014541;   PMID:25100281;   PMID:25947168;   PMID:2775266;   PMID:7606467;   PMID:9316402;   Reaxys:8184948

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  CHEBI ontology 0
    role 0
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        anti-inflammatory agent 0
          CGP-42112A 0
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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
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      carboacyl group 0
                                        univalent carboacyl group 0
                                          carbamoyl group 0
                                            carboxamide 0
                                              peptide 0
                                                oligopeptide 0
                                                  CGP-42112A 0
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