Chem
J-GLOBAL ID：200907035477355070   Nikkaji number：J449.797J

BQ-123

BQ-123
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H42N6O7
Molecular formula furigana： C31-H42-N6-O7
Molecular weight： 610.712
InChI： InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
InChI key： VYCMAAOURFJIHD-PJNXIOHISA-N
SMILES： CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Systematic name  (7)：
  • シクロ(D-Trp-D-Asp-L-Pro-D-Val-L-Leu-)
  • シクロ[D-Asp-L-Pro-D-Val-L-Leu-D-Trp-]
  • シクロ(D-Asp-L-Pro-D-Val-L-Leu-D-Trp-)
  • シクロ(D-Trp-D-Asp-Pro-D-Val-Leu-)
  • シクロ(D-αAsp-L-Pro-D-Val-L-Leu-D-Trp-)
Show all
Other name (7)：
  • BQ-123
  • Cyclo(D-Asp-L-Pro-D-Val-L-Leu-D-Trp-)
  • Cyclo[D-Asp-L-Pro-D-Val-L-Leu-D-Trp-]
  • Cyclo(D-Trp-D-Asp-L-Pro-D-Val-L-Leu-)
  • BQ-518
Show all
CAS registry number： 136553-81-6
KEGG COMPOUND： C11587
Application (2)：
endothelin antagonist ,  vasoactive drug
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