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Substance Name: Cyclobradykinin diacetate
RN: 103945-73-9
UNII: 8VR0H5S49L
InChIKey: UMOPCWSPUMZIKP-OBSYHILJSA-N

Molecular Formula

  • C50-H71-N15-O10.2C2-H4-O2

Molecular Weight

  • 1162.3091
 
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Names and Synonyms

Name of Substance

  • Cyclobradykinin diacetate

Synonyms

  • Cyclo(L-arginyl-L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl), diacetate (salt)
  • Cyclobradykinin diacetate
  • UNII-8VR0H5S49L

Registry Numbers

CAS Registry Number

  • 103945-73-9

FDA UNII

  • 8VR0H5S49L

System Generated Number

  • 0103945739

Structure Descriptors

InChI

1S/C50H71N15O10.2C2H4O2/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;2*1-2(3)4/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);2*1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,38-,39-;;/m0../s1

InChIKey

UMOPCWSPUMZIKP-OBSYHILJSA-N

Smiles

CC(=O)O.CC(=O)O.c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)NCC(=O)N2)CCCNC(=N)N)CCCNC(=N)N)Cc6ccccc6)CO