Chem
J-GLOBAL ID:200907054286335457
Nikkaji number:J362.668G
Antimycin A1a
アンチマイシンA1a
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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:
C28 H40 N2 O9
Molecular formula furigana:
C28-H40-N2-O9
Molecular weight:
548.633
InChI:
InChI=1S/C28H40N2O9/c1-6-8-9-10-12-20-24(39-26(34)16(3)7-2)18(5)38-28(36)22(17(4)37-27(20)35)30-25(33)19-13-11-14-21(23(19)32)29-15-31/h11,13-18,20,22,24,32H,6-10,12H2,1-5H3,(H,29,31)(H,30,33)/t16?,17-,18+,20-,22+,24+/m1/s1
InChI key:
UPHOMQADKXDOFD-ORBKLCBDSA-N
SMILES:
CCCCCC[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 (3):
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-ヘキシル-1,5-ジオキソナン-8-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 2-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 2-methylbutanoate
Other name (3):
2-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A1a
Antimycin A1a
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