Chem
J-GLOBAL ID：200907028992149550   Nikkaji number：J1.039.723E

Beauveriolide III

ベアウベリオリドIII
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： C27H41N3O5
Molecular formula furigana： C27-H41-N3-O5
Molecular weight： 487.641
InChI： InChI=1S/C27H41N3O5/c1-6-8-12-18(4)22-16-23(31)29-21(15-20-13-10-9-11-14-20)26(33)28-19(5)25(32)30-24(17(3)7-2)27(34)35-22/h9-11,13-14,17-19,21-22,24H,6-8,12,15-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t17-,18-,19-,21-,22-,24?/m0/s1
InChI key： VEELKRGSLCNVAR-WIDGOMHBSA-N
SMILES： CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NC([C@@H](C)CC)C(=O)O1
Systematic name  (3)：
  • N-[N-[N-[(3S,4S)-3-ヒドロキシ-4-メチルオクタノイル]-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,13S)-9-ベンジル-3-[(2S)-ブタン-2-イル]-13-[(2S)-ヘキサン-2-イル]-6-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,13S)-9-benzyl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (4)：
  • N-[N-[N-[(3S,4S)-3-Hydroxy-4-methyloctanoyl]-L-phenylalanyl]-L-alanyl]-D-alloisoleucine λ-lactone
  • ベアウベリオリドIII
  • Beauveriolide III
  • ボーベリオライドIII
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