CAS 642-15-9

Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester

Description:

The chemical substance known as Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-[[3-(formylamino)-2-hydroxybenzoyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, with the CAS number 642-15-9, is a complex organic compound characterized by its multi-functional groups and stereochemistry. It features a butanoic acid moiety, indicating it has carboxylic acid properties, which contribute to its acidity and potential reactivity. The presence of multiple methyl groups suggests it may exhibit hydrophobic characteristics, while the dioxo and dioxonan structures imply potential for chelation and interaction with metal ions. The specific stereochemistry (2R,3S,6S,7R,8R) indicates that the compound has several chiral centers, which can influence its biological activity and interaction with enzymes or receptors. Additionally, the presence of an amino group and a hydroxyl group suggests potential for hydrogen bonding, which may enhance solubility in polar solvents. Overall, this compound's unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and drug development.

Formula: C₂₈H₄₀N₂O₉

InChI: InChI=1/C28H40N2O9/c1-6-7-8-9-10-21-25(38-23(33)13-17(2)3)18(4)37-24(34)15-28(5,39-27(21)36)30-26(35)20-12-11-19(29-16-31)14-22(20)32/h11-12,14,16-18,21,25,32H,6-10,13,15H2,1-5H3,(H,29,31)(H,30,35)

SMILES: CCCCCCC1C(C(C)OC(=O)CC(C)(N=C(c2ccc(cc2O)N=CO)O)OC1=O)OC(=O)CC(C)C

Synonyms:

• (2R,3S,6S,7R,8R)-3-{[3-(formylamino)-2-hydroxybenzoyl]amino}-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate (non-preferred name)
• 1,5-Dioxonane, butanoic acid deriv.
• 3-(3-Formamidosalicylamido)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl isovalerate
• 3-{[3-(Formylamino)-2-Hydroxybenzoyl]Amino}-8-Hexyl-2,6-Dimethyl-4,9-Dioxo-1,5-Dioxonan-7-Yl 3-Methylbutanoate (Non-Preferred Name)
• Antimycin A
• Antimycin A₁
• Butanoic acid, 2(or 3)-methyl-, (2R,3S,6S,7R,8R)-3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester
• Butanoic acid, 2(or 3)-methyl-, 3-((3-(formylamino)-2-hydroxybenzoyl)amino)-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl ester, (2R-(2R*,3S*,6S*,7R*,8R*))-
• Isovaleric acid, 8-ester with 3-formamido-N-(7-hexyl-8-hydroxy-4,9-dimethyl-2,6-dioxo-1,5-dioxonan-3-yl)salicylamide
• [2-[(4-Formamido-2-Hydroxy-Benzoyl)Amino]-8-Hexyl-2,6-Dimethyl-4,9-Dioxo-1,5-Dioxonan-7-Yl] 3-Methylbutanoate
• Antimycin A1

Antimycin A1

CAS: 642-15-9

Formula: C₂₈H₄₀N₂O₉

Purity: ≥ 95%

Color and Shape: White solid

Molecular weight: 548.63

Ref: 7W-GA1794