Chem
J-GLOBAL ID：200907053890085080   Nikkaji number：J1.039.722G

Beauveriolide I

ベアウベリオリドI
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/c1-6-7-11-18(4)23-16-24(31)29-21(15-20-12-9-8-10-13-20)26(33)28-19(5)25(32)30-22(14-17(2)3)27(34)35-23/h8-10,12-13,17-19,21-23H,6-7,11,14-16H2,1-5H3,(H,28,33)(H,29,31)(H,30,32)/t18-,19-,21-,22?,23-/m0/s1
InChI key： ZKSLFHXTWGEITF-JTEFZPGISA-N
SMILES： CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)NC(CC(C)C)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-ロイシンλ-ラクトン
  • (3R,6S,9S,13S)-9-ベンジル-13-[(2S)-ヘキサン-2-イル]-6-メチル-3-(2-メチルプロピル)-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-13-[(2S)-hexan-2-yl]-6-methyl-3-(2-methylpropyl)-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-leucine λ-lactone
  • ベアウベリオリドI
  • Beauveriolide I
  • ボーベリオライドI
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