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Substance Name: Aahtp-bradykinin
RN: 138866-14-5
InChIKey: UDQHGKDKOSVRCN-UHFFFAOYSA-N

Note

  • Bradykinin B2 receptor antagonist.

Molecular Formula

  • C67-H97-N19-O14-S2

Molecular Weight

  • 1456.75
 
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Names and Synonyms

Results Name

  • Aahtp-bradykinin

Name of Substance

  • Bradykinin, 1-adamantanecarboxylic acid-arg(0)-hyp(3)-thi(5,8)-phe(7)-

Synonyms

  • (N-Adamantaneacetyl-D-arg(0)-hyp(3)-thi(5,8)-D-phe(7))bradykinin
  • 1-Adamantanecarboxylic acid-arg(0)-hyp(3)-thi(5,8)-phe(7)-bradykinin
  • Aahtp-bradykinin
  • Bradykinin, 1-adamantanecarboxylic acid-arginyl(0)-hydroxyprolyl(3)-thi(5,8)-phenylalanyl(7)-
  • N2-(N-(N-(N-(N-(N-(trans-4-Hydroxy-1-(1-(N2-(N2-(tricyclo(3.3.1.1(3,7))dec-1-ylcarbonyl)-D-arginyl)-L-arginyl)-L-propyl)-L-prolyl)glycyl)-3-(2-thienyl)-L-alanyl)-L-seryl)-D-phenylalanyl)-3-(2-thienyl)-L-alanyl)-L-arginine

Systematic Name

  • L-Arginine, N2-(N-(N-(N-(N-(N-(trans-4-hydroxy-1-(1-(N2-(N2-(tricyclo(3.3.1.1(3,7))dec-1-ylcarbonyl)-D-arginyl)-L-arginyl)-L-propyl)-L-prolyl)glycyl)-3-(2-thienyl)-L-alanyl)-L-seryl)-D-phenylalanyl)-3-(2-thienyl)-L-alanyl)-

Registry Numbers

CAS Registry Number

  • 138866-14-5

System Generated Number

  • 0138866145

Structure Descriptors

InChI

1S/C67H97N19O14S2/c68-64(69)74-18-4-14-44(84-63(100)67-31-38-24-39(32-67)26-40(25-38)33-67)54(90)79-45(15-5-19-75-65(70)71)60(96)85-21-7-17-51(85)61(97)86-35-41(88)28-52(86)59(95)77-34-53(89)78-48(29-42-12-8-22-101-42)56(92)83-50(36-87)58(94)81-47(27-37-10-2-1-3-11-37)55(91)82-49(30-43-13-9-23-102-43)57(93)80-46(62(98)99)16-6-20-76-66(72)73/h1-3,8-13,22-23,38-41,44-52,87-88H,4-7,14-21,24-36H2,(H,77,95)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H,84,100)(H,98,99)(H4,68,69,74)(H4,70,71,75)(H4,72,73,76)

InChIKey

UDQHGKDKOSVRCN-UHFFFAOYSA-N

Smiles

C1C2CC3CC(C2)(CC1C3)C(N[C@@H](C(N[C@@H](C(N1CCC[C@@H]1C(N1C[C@@H](C[C@@H]1C(NCC(N[C@@H](Cc1cccs1)C(N[C@@H](C(N[C@@H](C(N[C@@H](Cc1cccs1)C(=O)N[C@@H](CCCNC(=N)N)C(O)=O)=O)Cc1ccccc1)=O)CO)=O)=O)=O)O)=O)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O