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Substance Name: Cyclokallidin
RN: 75690-91-4
InChIKey: DKNFFRJVCYGULT-FSLKYBNLSA-N

Molecular Formula

  • C56-H83-N17-O11

Molecular Weight

  • 1170.38
 
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Names and Synonyms

Name of Substance

  • Cyclokallidin

Synonym

  • Epsilon-cyclokallidin

Systematic Name

  • Bradykinin, N2-L-lysyl-, cyclic (9-1)-peptide

Registry Numbers

CAS Registry Number

  • 75690-91-4

System Generated Number

  • 0075690914

Structure Descriptors

InChI

1S/C56H83N17O11/c57-36-18-7-8-24-62-47(77)37(19-9-25-63-55(58)59)67-49(79)40(31-35-16-5-2-6-17-35)69-51(81)43-22-12-27-71(43)53(83)41(33-74)70-48(78)39(30-34-14-3-1-4-15-34)66-45(75)32-65-50(80)42-21-11-28-72(42)54(84)44-23-13-29-73(44)52(82)38(68-46(36)76)20-10-26-64-56(60)61/h1-6,14-17,36-44,74H,7-13,18-33,57H2,(H,62,77)(H,65,80)(H,66,75)(H,67,79)(H,68,76)(H,69,81)(H,70,78)(H4,58,59,63)(H4,60,61,64)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1

InChIKey

DKNFFRJVCYGULT-FSLKYBNLSA-N

Smiles

C([C@@H]1NC([C@@H](N)CCCCNC([C@@H](NC(=O)[C@H](Cc2ccccc2)NC([C@@H]2CCCN2C([C@H](CO)NC([C@@H](NC(CNC(=O)[C@H]2N(C(=O)[C@H]3N(C1=O)CCC3)CCC2)=O)Cc1ccccc1)=O)=O)=O)CCCNC(N)=N)=O)=O)CCNC(N)=N