Chem
J-GLOBAL ID：200907014836598092   Nikkaji number：J91.866K

Beauverolide D

ベアウベロリドD
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： C28H43N3O5
Molecular formula furigana： C28-H43-N3-O5
Molecular weight： 501.668
InChI： InChI=1S/C28H43N3O5/c1-7-8-12-19(6)22-16-23(32)29-21(15-20-13-10-9-11-14-20)26(33)30-24(17(2)3)27(34)31-25(18(4)5)28(35)36-22/h9-11,13-14,17-19,21-22,24-25H,7-8,12,15-16H2,1-6H3,(H,29,32)(H,30,33)(H,31,34)/t19?,21-,22?,24-,25?/m0/s1
InChI key： KTXDJLVXYNAWHD-NNCOXRRISA-N
SMILES： CCCCC(C)C1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)NC(C(C)C)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-バリル]-L-バリンλ-ラクトン
  • (3S,6S,9S)-9-ベンジル-13-(ヘキサン-2-イル)-3,6-ビス(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
  • (3S,6S,9S)-9-benzyl-13-(hexan-2-yl)-3,6-bis(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (3)：
  • Beauverolide D
  • ベアウベロリドD
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxooctyl)-L-phenylalanyl]-L-valyl]-L-valine λ-lactone
CAS registry number： 75899-63-7
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