Chem
J-GLOBAL ID：200907093687227970   Nikkaji number：J1.103.873E

Pseudotheonamide A2

プソイドテオナミドA2
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： C36H45N9O8
Molecular formula furigana： C36-H45-N9-O8
Molecular weight： 731.811
InChI： InChI=1S/C36H45N9O8/c37-35-43-34(52)36(53)29(9-5-15-45(35)36)42-32(50)28-8-4-14-44(28)33(51)27(39-20-46)19-38-30(48)18-25-24(16-22-10-12-23(47)13-11-22)41-31(49)26(40-25)17-21-6-2-1-3-7-21/h1-3,6-7,10-13,20,24-29,40,47,53H,4-5,8-9,14-19H2,(H,38,48)(H,39,46)(H,41,49)(H,42,50)(H2,37,43,52)/t24-,25+,26+,27-,28-,29-,36+/m0/s1
InChI key： OFIXQAFBMUEGPX-VJARGREYSA-N
SMILES： Oc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccccc3)N[C@@H]2CC(=O)NC[C@H](NC=O)C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCCN3C(=N)NC(=O)[C@]23O)cc1
Systematic name  (3)：
  • N-ホルミル-3-[[(2R)-3α-(4-ヒドロキシベンジル)-5-オキソ-6β-ベンジル-2α-ピペラジニル]アセチルアミノ]-L-Ala-L-Pro-[(8S)-1-オキソ-3-イミノ-8aα-ヒドロキシオクタヒドロイミダゾ[1,5-a]ピリジン-8α-イル]NH2
  • (2S)-N-[(8S,8aR)-8a-ヒドロキシ-3-イミノ-1-オキソ-オクタヒドロイミダゾ[1,5-a]ピリジン-8-イル]-1-[(2S)-3-{2-[(2R,3S,6R)-6-ベンジル-3-[(4-ヒドロキシフェニル)メチル]-5-オキソピペラジン-2-イル]アセトアミド}-2-ホルムアミドプロパノイル]ピロリジン-2-カルボキサミド
  • (2S)-N-[(8S,8aR)-8a-hydroxy-3-imino-1-oxo-octahydroimidazo[1,5-a]pyridin-8-yl]-1-[(2S)-3-{2-[(2R,3S,6R)-6-benzyl-3-[(4-hydroxyphenyl)methyl]-5-oxopiperazin-2-yl]acetamido}-2-formamidopropanoyl]pyrrolidine-2-carboxamide
Other name (3)：
  • N-Formyl-3-[[(2R)-3α-(4-hydroxybenzyl)-5-oxo-6β-benzyl-2α-piperazinyl]acetylamino]-L-Ala-L-Pro-[(8S)-1-oxo-3-imino-8aα-hydroxyoctahydroimidazo[1,5-a]pyridine-8α-yl]NH2
  • プソイドテオナミドA2
  • Pseudotheonamide A2
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