Chem
J-GLOBAL ID：200907054682031185   Nikkaji number：J34.219J

Isarolide C

イサロリドC
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： C35H49N3O5
Molecular formula furigana： C35-H49-N3-O5
Molecular weight： 591.793
InChI： InChI=1S/C35H49N3O5/c1-5-7-8-11-16-25(4)30-23-31(39)36-28(21-26-17-12-9-13-18-26)33(40)37-29(22-27-19-14-10-15-20-27)34(41)38-32(24(3)6-2)35(42)43-30/h9-10,12-15,17-20,24-25,28-30,32H,5-8,11,16,21-23H2,1-4H3,(H,36,39)(H,37,40)(H,38,41)/t24-,25?,28-,29-,30?,32?/m0/s1
InChI key： WBVNIXQEIJHNJC-ATROAOPCSA-N
SMILES： CCCCCCC(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-オキソデシル)-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-(オクタン-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-(octan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
Other name (5)：
  • イサロリドC
  • Isarolide C
  • ベアウベロリドCa
  • Beauverolide Ca
  • N-[N-[N-(3-Hydroxy-4-methyl-1-oxodecyl)-L-phenylalanyl]-L-phenylalanyl]-D-alloisoleucine λ-lactone
CAS registry number： 13594-29-1
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