Chem
J-GLOBAL ID：200907024966834907   Nikkaji number：J91.870I

Beauverolide Fa

ベアウベロリドFa
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： C33H45N3O5
Molecular formula furigana： C33-H45-N3-O5
Molecular weight： 563.739
InChI： InChI=1S/C33H45N3O5/c1-5-7-14-23(4)28-21-29(37)34-26(19-24-15-10-8-11-16-24)31(38)35-27(20-25-17-12-9-13-18-25)32(39)36-30(22(3)6-2)33(40)41-28/h8-13,15-18,22-23,26-28,30H,5-7,14,19-21H2,1-4H3,(H,34,37)(H,35,38)(H,36,39)/t22-,23?,26-,27-,28?,30?/m0/s1
InChI key： ALDJPDCIFHQIAL-RTUACDQISA-N
SMILES： CCCCC(C)C1CC(=O)N[C@@H](Cc2ccccc2)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-フェニルアラニル]-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)-6,9-ジベンジル-3-[(2S)-ブタン-2-イル]-13-(ヘキサン-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)-6,9-dibenzyl-3-[(2S)-butan-2-yl]-13-(hexan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (3)：
  • Beauverolide Fa
  • ベアウベロリドFa
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxooctyl)-L-phenylalanyl]-L-phenylalanyl]-D-alloisoleucine λ-lactone
CAS registry number： 75899-61-5
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