Chem
J-GLOBAL ID：200907056183734585   Nikkaji number：J626.073J

Beauverolide La

ベアウベロリドLa
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： C29H45N3O5
Molecular formula furigana： C29-H45-N3-O5
Molecular weight： 515.695
InChI： InChI=1S/C29H45N3O5/c1-6-8-9-11-14-20(4)24-18-25(33)31-23(17-22-15-12-10-13-16-22)28(35)30-21(5)27(34)32-26(19(3)7-2)29(36)37-24/h10,12-13,15-16,19-21,23-24,26H,6-9,11,14,17-18H2,1-5H3,(H,30,35)(H,31,33)(H,32,34)/t19-,20?,21-,23-,24?,26?/m0/s1
InChI key： LJKNHIBJQYSBGK-SFCRQBDVSA-N
SMILES： CCCCCCC(C)C1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NC([C@@H](C)CC)C(=O)O1
Systematic name  (4)：
  • N-[N-[N-(3-ヒドロキシ-4-メチル-1-オキソデシル)-L-フェニルアラニル]-L-アラニル]-D-アロイソロイシンλ-ラクトン
  • N-[N-[N-(3-ヒドロキシ-4-メチルデカノイル)-L-フェニルアラニル]-L-アラニル]-D-アロイソロイシンλ-ラクトン
  • (3R,6S,9S)-9-ベンジル-3-[(2S)-ブタン-2-イル]-6-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)-9-benzyl-3-[(2S)-butan-2-yl]-6-methyl-13-(octan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (8)：
  • ベアウベロリドLa
  • Beauverolide La
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxodecyl)-L-phenylalanyl]-L-alanyl]-D-alloisoleucine λ-lactone
  • N-[N-[N-(3-Hydroxy-4-methyldecanoyl)-L-phenylalanyl]-L-alanyl]-D-alloisoleucine λ-lactone
  • ベアウベリオリドLa
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