Chem
J-GLOBAL ID：200907040006656104   Nikkaji number：J91.872E

Beauverolide Ka

ベアウベロリドKa
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： C37H50N4O5
Molecular formula furigana： C37-H50-N4-O5
Molecular weight： 630.830
InChI： InChI=1S/C37H50N4O5/c1-5-7-8-10-15-25(4)32-22-33(42)39-31(21-27-23-38-29-19-14-13-18-28(27)29)35(43)40-30(20-26-16-11-9-12-17-26)36(44)41-34(24(3)6-2)37(45)46-32/h9,11-14,16-19,23-25,30-32,34,38H,5-8,10,15,20-22H2,1-4H3,(H,39,42)(H,40,43)(H,41,44)/t24-,25?,30-,31-,32?,34?/m0/s1
InChI key： WCSIGBXTLAHHJM-RGAAKNTJSA-N
SMILES： CCCCCCC(C)C1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC([C@@H](C)CC)C(=O)O1
Systematic name  (3)：
  • N-[N-[N-(3-ヒドロキシ-4-メチル-1-オキソデシル)-L-トリプトフィル]-L-フェニルアラニル]-D-アロイソロイシンλ-ラクトン
  • (3R,6S,9S)-6-ベンジル-3-[(2S)-ブタン-2-イル]-9-[(1H-インドール-3-イル)メチル]-13-(オクタン-2-イル)-1-オキサ-4,7,10-トリアザシクロトリデカン-2,5,8,11-テトラオン
  • (3R,6S,9S)-6-benzyl-3-[(2S)-butan-2-yl]-9-[(1H-indol-3-yl)methyl]-13-(octan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (3)：
  • Beauverolide Ka
  • ベアウベロリドKa
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxodecyl)-L-tryptophyl]-L-phenylalanyl]-D-alloisoleucine λ-lactone
CAS registry number： 76265-42-4
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