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CAS 517875-34-2

:

(3S,6S,7R,8R)-8-Benzyl-3-[3-[(isobutyryloxy)methoxy]-4-methoxypicolinamido]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate

Description:
The chemical substance with the name "(3S,6S,7R,8R)-8-Benzyl-3-[3-[(isobutyryloxy)methoxy]-4-methoxypicolinamido]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl isobutyrate" and CAS number "517875-34-2" is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as amides, esters, and methoxy groups. This compound features a bicyclic dioxonane framework, contributing to its potential biological activity. The presence of a benzyl group and isobutyryloxy substituents suggests that it may exhibit lipophilic properties, which can influence its solubility and permeability in biological systems. The stereochemistry indicated by the specific configuration at several chiral centers (3S, 6S, 7R, 8R) is crucial for its interaction with biological targets, potentially affecting its pharmacological profile. Such compounds are often investigated for their therapeutic potential, particularly in fields like medicinal chemistry and drug development, where their unique structural features may lead to novel biological activities.
Formula:C31H38N2O11
InChI:InChI=1S/C31H38N2O11/c1-17(2)28(35)42-16-41-26-23(39-6)12-13-32-24(26)27(34)33-22-15-40-30(37)21(14-20-10-8-7-9-11-20)25(19(5)43-31(22)38)44-29(36)18(3)4/h7-13,17-19,21-22,25H,14-16H2,1-6H3,(H,33,34)/t19-,21+,22-,25-/m0/s1
InChI key:InChIKey=QGTOTYJSCYHYFK-RBODFLQRSA-N
SMILES:O(COC(C(C)C)=O)C1=C(C(N[C@@H]2C(=O)O[C@@H](C)[C@H](OC(C(C)C)=O)[C@@H](CC3=CC=CC=C3)C(=O)OC2)=O)N=CC=C1OC
Synonyms:
  • UK 2A procide
  • [[4-Methoxy-2-[[[(3S,7R,8R,9S)-9-methyl-8-(2-methyl-1-oxopropoxy)-2,6-dioxo-7-(phenylmethyl)-1,5-dioxonan-3-yl]amino]carbonyl]-3-pyridinyl]oxy]methyl 2-methylpropanoate
  • (3S,6S,7R,8R)-8-Benzyl-3-[([3-[(isobutyryloxy)methoxy]-4-methoxypyridin-2-yl]carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl 2-methylpropanoate
  • Propanoic acid, 2-methyl-, [[4-methoxy-2-[[[(3S,7R,8R,9S)-9-methyl-8-(2-methyl-1-oxopropoxy)-2,6-dioxo-7-(phenylmethyl)-1,5-dioxonan-3-yl]amino]carbonyl]-3-pyridinyl]oxy]methyl ester
  • XDE 777
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