CHEBI:147302 - CGP-42112A

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ChEBI Name CGP-42112A ChEBI ID CHEBI:147302 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 {N2-[(benzyloxy)carbonyl]-L-arginyl}nitrilo group. It is a potent angiotensin II receptor type 2 (AT2 receptor) agonist. Stars This entity has been manually annotated by the ChEBI Team. Submitter Sandra Orchard Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C52H69N13O11 Net Charge 0 Average Mass 1052.204 Monoisotopic Mass 1051.52395 InChI 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 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 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): angiotensin receptor agonist A hormone antagonist that acts at angiotensin receptors. Application(s): angiotensin receptor agonist A hormone antagonist that acts at angiotensin receptors. vasodilator agent A drug used to cause dilation of the blood vessels. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. anti-inflammatory agent Any compound that has anti-inflammatory effects. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. View more via ChEBI Ontology ChEBI Ontology Outgoing CGP-42112A (CHEBI:147302) has role angiotensin receptor agonist (CHEBI:138416) CGP-42112A (CHEBI:147302) has role anti-inflammatory agent (CHEBI:67079) CGP-42112A (CHEBI:147302) has role antineoplastic agent (CHEBI:35610) CGP-42112A (CHEBI:147302) has role neuroprotective agent (CHEBI:63726) CGP-42112A (CHEBI:147302) has role vasodilator agent (CHEBI:35620) CGP-42112A (CHEBI:147302) is a benzyl ester (CHEBI:90628) CGP-42112A (CHEBI:147302) is a oligopeptide (CHEBI:25676) CGP-42112A (CHEBI:147302) is a pyridinecarboxamide (CHEBI:25529) IUPAC Name N6-{N2-[(benzyloxy)carbonyl]-L-arginyl}-N2-[N-(pyridin-3-ylcarbonyl)-L-tyrosyl]-L-lysyl-L-histidyl-L-prolyl-L-isoleucine Synonyms Sources CGP 42112A ChEBI CGP-42112 ChemIDplus CGP-42112A ChEBI CGP42112A ChemIDplus N6-[[(phenylmethoxy)carbonyl]-L-Arg-]-N2-[[(pyridin-3-yl)carbonyl]-L-Tyr-]-L-Lys-L-His-L-Pro-L-Ile-OH ChEBI N6-{N2-[(benzyloxy)carbonyl]-L-arginyl}-N2-[N-(pyridine-3-carbonyl)-L-tyrosyl]-L-lysyl-L-histidyl-L-prolyl-L-isoleucine IUPAC Nα-nicotinoyl-Tyr-(Nα-Cbz-Arg)-Lys-His-Pro-Ile ChEBI Registry Numbers Types Sources 127060-75-7 CAS Registry Number ChemIDplus 8184948 Reaxys Registry Number Reaxys Citations Types Sources 11454929 PubMed citation Europe PMC 12689346 PubMed citation Europe PMC 14615403 PubMed citation Europe PMC 16380464 PubMed citation Europe PMC 21803946 PubMed citation Europe PMC 23201312 PubMed citation Europe PMC 24712284 PubMed citation Europe PMC 24957202 PubMed citation Europe PMC 25014541 PubMed citation Europe PMC 25100281 PubMed citation Europe PMC 25947168 PubMed citation Europe PMC 2775266 PubMed citation Europe PMC 7606467 PubMed citation Europe PMC 9316402 PubMed citation Europe PMC Last Modified 01 May 2020