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Substance Name: Bradykinin, des-pro(3)-
RN: 80943-05-1
InChIKey: QFSJEDMTCFOOTJ-POFDKVPJSA-N

Molecular Formula

  • C45-H66-N14-O10

Molecular Weight

  • 963.1044
 
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Names and Synonyms

Name of Substance

  • Bradykinin, des-pro(3)-

Synonyms

  • 3-De-pro-bradykinin
  • Arg-pro-gly-phe-ser-pro-phe-arg
  • Bradykinin, des-proline(3)-

Systematic Name

  • Bradykinin, 3-de-L-proline-

Registry Numbers

CAS Registry Number

  • 80943-05-1

System Generated Number

  • 0080943051

Structure Descriptors

InChI

1S/C45H66N14O10/c46-29(15-7-19-51-44(47)48)41(66)58-21-9-17-34(58)39(64)53-25-36(61)54-31(23-27-11-3-1-4-12-27)37(62)57-33(26-60)42(67)59-22-10-18-35(59)40(65)56-32(24-28-13-5-2-6-14-28)38(63)55-30(43(68)69)16-8-20-52-45(49)50/h1-6,11-14,29-35,60H,7-10,15-26,46H2,(H,53,64)(H,54,61)(H,55,63)(H,56,65)(H,57,62)(H,68,69)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31-,32-,33-,34-,35-/m0/s1

InChIKey

QFSJEDMTCFOOTJ-POFDKVPJSA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCN/C(=N/[H])/N)C(=O)O)N