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Substance Name: Cyclobradykinin
RN: 3522-46-1
UNII: D57JN0CU45
InChIKey: CGUPGUWFSNGALM-FDISYFBBSA-N

Molecular Formula

  • C50-H71-N15-O10

Molecular Weight

  • 1042.2059
 
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Names and Synonyms

Name of Substance

  • Cyclobradykinin

Synonym

  • UNII-D57JN0CU45

Systematic Name

  • Cyclo(L-arginyl-L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl)

Registry Numbers

CAS Registry Number

  • 3522-46-1

FDA UNII

  • D57JN0CU45

System Generated Number

  • 0003522461

Structure Descriptors

InChI

1S/C50H71N15O10/c51-49(52)55-21-7-16-32-41(68)60-33(17-8-22-56-50(53)54)46(73)65-25-11-20-39(65)48(75)64-24-9-18-37(64)44(71)57-28-40(67)58-34(26-30-12-3-1-4-13-30)42(69)62-36(29-66)47(74)63-23-10-19-38(63)45(72)61-35(43(70)59-32)27-31-14-5-2-6-15-31/h1-6,12-15,32-39,66H,7-11,16-29H2,(H,57,71)(H,58,67)(H,59,70)(H,60,68)(H,61,72)(H,62,69)(H4,51,52,55)(H4,53,54,56)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1

InChIKey

CGUPGUWFSNGALM-FDISYFBBSA-N

Smiles

NC(=N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(=N)N)NC1=O