Chem
J-GLOBAL ID：200907034426916853   Nikkaji number：J91.868G

Beauverolide Ea

ベアウベロリドEa
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/c1-7-9-13-20(6)23-17-24(33)31-25(18(3)4)28(35)30-22(16-21-14-11-10-12-15-21)27(34)32-26(19(5)8-2)29(36)37-23/h10-12,14-15,18-20,22-23,25-26H,7-9,13,16-17H2,1-6H3,(H,30,35)(H,31,33)(H,32,34)/t19-,20?,22-,23?,25-,26?/m0/s1
InChI key： ZXVYJDXXIJJYAJ-ZZDYYXCKSA-N
SMILES： CCCCC(C)C1CC(=O)N[C@@H](C(C)C)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-バリル]-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-(プロパン-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]-13-(hexan-2-yl)-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (3)：
  • Beauverolide Ea
  • ベアウベロリドEa
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxooctyl)-L-valyl]-L-phenylalanyl]-D-alloisoleucine λ-lactone
CAS registry number： 75899-62-6
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