Chem
J-GLOBAL ID：200907008997747624   Nikkaji number：J362.688A

Antimycin A3a

アンチマイシンA3a
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： C26H36N2O9
Molecular formula furigana： C26-H36-N2-O9
Molecular weight： 520.578
InChI： InChI=1S/C26H36N2O9/c1-6-8-10-18-22(37-24(32)14(3)7-2)16(5)36-26(34)20(15(4)35-25(18)33)28-23(31)17-11-9-12-19(21(17)30)27-13-29/h9,11-16,18,20,22,30H,6-8,10H2,1-5H3,(H,27,29)(H,28,31)/t14?,15-,16+,18-,20+,22+/m1/s1
InChI key： RJSDTWRLWCTTTR-KRSHUEJQSA-N
SMILES： CCCC[C@@H]1[C@@H](OC(=O)C(C)CC)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
Systematic name  (4)：
  • 2-メチルブタン酸(3S,4R,7R,8R,9S)-3-[(3-ホルミルアミノ-2-ヒドロキシベンゾイル)アミノ]-4,9-ジメチル-2,6-ジオキソ-7-ブチル-1,5-ジオキソナン-8-イル
  • (3S)-3β-[2-ヒドロキシ-3-(ホルミルアミノ)ベンゾイルアミノ]-4β,9α-ジメチル-7α-ブチル-8β-(2-メチルブチリルオキシ)-1,5-ジオキサシクロノナン-2,6-ジオン
  • (2R,3S,6S,7R,8R)-8-ブチル-3-(3-ホルムアミド-2-ヒドロキシベンズアミド)-2,6-ジメチル-4,9-ジオキソ-1,5-ジオキソナン-7-イル 2-メチルブタノアート
  • (2R,3S,6S,7R,8R)-8-butyl-3-(3-formamido-2-hydroxybenzamido)-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylbutanoate
Other name (4)：
  • 2-Methylbutanoic acid (3S,4R,7R,8R,9S)-3-[(3-formylamino-2-hydroxybenzoyl)amino]-4,9-dimethyl-2,6-dioxo-7-butyl-1,5-dioxonan-8-yl ester
  • アンチマイシンA3a
  • Antimycin A3a
  • (3S)-3β-[2-Hydroxy-3-(formylamino)benzoylamino]-4β,9α-dimethyl-7α-butyl-8β-(2-methylbutyryloxy)-1,5-dioxacyclononane-2,6-dione
Thsaurus map：
Thesaurus Map

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