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Substance Name: Cgp 42112A
RN: 127060-75-7
InChIKey: UXGNARZDONUMMK-LRMQDCNJSA-N

Note

  • A hexapeptide analog of angiotensin II; activation of Receptor, Angiotensin, Type 2 results in vasodilation.

Molecular Formula

  • C52-H69-N13-O11

Molecular Weight

  • 1052.2
 
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Names and Synonyms

Name of Substance

  • Cgp 42112A

Synonyms

  • Cgp 42112
  • Cgp 42112B
  • CGP-42112
  • Cgp-42112A
  • Nicotinic acid-tyr-(N(sigma)-benzyloxycarbonyl-arg)lys-his-pro-ile-OH
  • Nicotinic acid-tyrosyl-(N(sigma)-benzyloxycarbonyl-arginyl)lysyl-histidyl-prolyl-isoleucine-OH

Systematic Name

  • L-Isoleucine, N-(1-(N-(N6-(N2-((phenylmethoxy)carbonyl)-L-arginyl)-N2-(N-(3-pyridinylcarbonyl)-L-tyrosyl)-L-lysyl)-L-histidyl)-L-prolyl)-

Registry Numbers

CAS Registry Number

  • 127060-75-7

System Generated Number

  • 0127060757

Structure Descriptors

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(c2cnccc2)=O)Cc2ccc(O)cc2)=O)CCCCNC([C@@H](NC(=O)OCc2ccccc2)CCCNC(=N)N)=O)=O)Cc2[nH]cnc2)=O)[C@H](C(N[C@H](C(=O)O)[C@H](CC)C)=O)CCC1