Chem
J-GLOBAL ID：200907014789934135   Nikkaji number：J362.669E

Antimycin A1b

アンチマイシンA1b
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： C28H40N2O9
Molecular formula furigana： C28-H40-N2-O9
Molecular weight： 548.633
InChI： InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
InChI key： UIFFUZWRFRDZJC-SBOOETFBSA-N
SMILES： CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
Systematic name  (4)：
  • 3-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-ヘキシル-1,5-ジオキソナン-8-イル
  • 3-メチルブタン酸(2R,3S,6S,7R,8R)-3-[(3-ホルミルアミノ-2-ヒドロキシベンゾイル)アミノ]-2,6-ジメチル-4,9-ジオキソ-8-ヘキシル-1,5-ジオキソナン-7-イル
  • (2R,3S,6S,7R,8R)-3-(3-ホルムアミド-2-ヒドロキシベンズアミド)-8-ヘキシル-2,6-ジメチル-4,9-ジオキソ-1,5-ジオキソナン-7-イル 3-メチルブタノアート
  • (2R,3S,6S,7R,8R)-3-(3-formamido-2-hydroxybenzamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate
Other name (5)：
  • 3-Methylbutanoic acid (3S,4R,7R,8R,9S)-3-[(3-formylamino-2-hydroxybenzoyl)amino]-4,9-dimethyl-2,6-dioxo-7-hexyl-1,5-dioxonan-8-yl ester
  • アンチマイシンA1b
  • Antimycin A1b
  • (+)-アンチマイシンA1b
  • 3-Methylbutanoic acid (2R,3S,6S,7R,8R)-3-[(3-formylamino-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-hexyl-1,5-dioxonane-7-yl ester
CAS registry number： 116095-18-2
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