Chem
J-GLOBAL ID：200907069226602372   Nikkaji number：J594.470H

BQ-610

BQ-610
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： C36H44N6O6
Molecular formula furigana： C36-H44-N6-O6
Molecular weight： 656.784
InChI： InChI=1S/C36H44N6O6/c1-23(2)17-29(40-36(48)41-15-9-3-4-10-16-41)33(44)38-30(19-25-21-42(22-43)32-14-8-6-12-27(25)32)34(45)39-31(35(46)47)18-24-20-37-28-13-7-5-11-26(24)28/h5-8,11-14,20-23,29-31,37H,3-4,9-10,15-19H2,1-2H3,(H,38,44)(H,39,45)(H,40,48)(H,46,47)/t29-,30+,31+/m0/s1
InChI key： QHSRPPJQBFQWSC-OJDZSJEKSA-N
SMILES： CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name  (3)：
  • N-[(ヘキサヒドロ-1H-アゼピン)-1-イルカルボニル]-L-Leu-1-ホルミル-D-Trp-D-Trp-OH
  • (2R)-2-[(2R)-2-[(2S)-2-[(アゼパン-1-カルボニル)アミノ]-4-メチルペンタンアミド]-3-(1-ホルミル-1H-インドール-3-イル)プロパンアミド]-3-(1H-インドール-3-イル)プロパン酸
  • (2R)-2-[(2R)-2-[(2S)-2-[(azepane-1-carbonyl)amino]-4-methylpentanamido]-3-(1-formyl-1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Other name (2)：
  • BQ-610
  • N-[(Hexahydro-1H-azepin)-1-ylcarbonyl]-L-Leu-1-formyl-D-Trp-D-Trp-OH
Application (2)：
endothelin antagonist ,  vasoactive drug
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