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Substance Name: Bradykinin, sar-(D-phe(8))des-arg(9)
RN: 126959-88-4
InChIKey: YIUBSFCQATYQJB-VCMDLEIESA-N

Molecular Formula

  • C47-H66-N12-O11

Molecular Weight

  • 975.111
 
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Names and Synonyms

Name of Substance

  • Bradykinin, sar-(D-phe(8))des-arg(9)

Synonyms

  • Sar-(D-phe(8))des-arg(9)-BK
  • Spa-BK

Systematic Name

  • Bradykinin, N2-(N-methylglycyl)-8-D-phenylalanine-9-de-L-arginine-

Registry Numbers

CAS Registry Number

  • 126959-88-4

System Generated Number

  • 0126959884

Structure Descriptors

InChI

1S/C47H66N12O11/c1-50-26-38(61)53-31(16-8-20-51-47(48)49)43(66)59-23-11-19-37(59)45(68)58-22-9-17-35(58)41(64)52-27-39(62)54-32(24-29-12-4-2-5-13-29)40(63)56-34(28-60)44(67)57-21-10-18-36(57)42(65)55-33(46(69)70)25-30-14-6-3-7-15-30/h2-7,12-15,31-37,50,60H,8-11,16-28H2,1H3,(H,52,64)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,69,70)(H4,48,49,51)/t31-,32-,33+,34-,35-,36-,37-/m0/s1

InChIKey

YIUBSFCQATYQJB-VCMDLEIESA-N

Smiles

c1(ccccc1)C[C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC(CNC([C@@H]1CCCN1C(=O)[C@H]1N(CCC1)C([C@H](CCCNC(N)=N)NC(CNC)=O)=O)=O)=O)Cc1ccccc1)=O)CO)=O)=O)C(O)=O