Chem
J-GLOBAL ID：200907034843173901   Nikkaji number：J638.814K

BQ-485

BQ-485
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： C35H44N6O5
Molecular formula furigana： C35-H44-N6-O5
Molecular weight： 628.774
InChI： InChI=1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16-41)32(42)38-30(18-23-20-36-27-13-7-5-11-25(23)27)33(43)39-31(34(44)45)19-24-21-37-28-14-8-6-12-26(24)28/h5-8,11-14,20-22,29-31,36-37H,3-4,9-10,15-19H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t29-,30+,31+/m0/s1
InChI key： ZBJNAHVLKNFOPP-OJDZSJEKSA-N
SMILES： CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1c[nH]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-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-(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-(1H-indol-3-yl)propanamido]-3-(1H-indol-3-yl)propanoic acid
Other name (4)：
  • BQ-485
  • N-[(Hexahydro-1H-azepin)-1-ylcarbonyl]-L-Leu-D-Trp-D-Trp-OH
  • BQ485
  • Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-Trp
CAS registry number： 141594-26-5
KEGG COMPOUND： C11362
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