Chem
J-GLOBAL ID：200907087339404877   Nikkaji number：J91.871G

Beauverolide Ja

ビューベロリドJa
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： C35H46N4O5
Molecular formula furigana： C35-H46-N4-O5
Molecular weight： 602.776
InChI： InChI=1S/C35H46N4O5/c1-5-7-13-23(4)30-20-31(40)37-29(19-25-21-36-27-17-12-11-16-26(25)27)33(41)38-28(18-24-14-9-8-10-15-24)34(42)39-32(22(3)6-2)35(43)44-30/h8-12,14-17,21-23,28-30,32,36H,5-7,13,18-20H2,1-4H3,(H,37,40)(H,38,41)(H,39,42)/t22-,23?,28-,29-,30?,32?/m0/s1
InChI key： UJWGEVYNZAXJKW-SCOWUROBSA-N
SMILES： CCCCC(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-オキソオクチル)-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]-13-(ヘキサン-2-イル)-9-[(1H-インドール-3-イル)メチル]-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]-13-(hexan-2-yl)-9-[(1H-indol-3-yl)methyl]-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (4)：
  • Beauverolide Ja
  • ベアウベロリドJa
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxooctyl)-L-tryptophyl]-L-phenylalanyl]-D-alloisoleucine λ-lactone
  • ビューベロリドJa
CAS registry number： 76265-41-3
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