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CAS 1428243-27-9

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Phenylmethyl (3R,4S)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate

Description:
Phenylmethyl (3R,4S)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate, with CAS number 1428243-27-9, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as esters, amines, and sulfonyl groups. This compound features a pyrrolidine ring, which contributes to its stereochemistry, specifically the (3R,4S) configuration, indicating the spatial arrangement of its substituents. The presence of a dimethylethoxycarbonyl group suggests potential applications in medicinal chemistry, particularly in drug design, due to its ability to modify biological activity. Additionally, the sulfonyl group attached to a pyrrolo[2,3-b]pyrazine moiety may enhance the compound's pharmacological properties. Overall, this substance is likely to exhibit specific interactions with biological targets, making it of interest for further research in pharmaceutical applications. Its solubility, stability, and reactivity would depend on the surrounding conditions and the presence of other chemical entities.
Formula:C34H39N5O7S
InChI:InChI=1S/C34H39N5O7S/c1-6-25-19-37(32(41)45-22-24-10-8-7-9-11-24)20-27(25)29(40)21-38(33(42)46-34(3,4)5)30-18-35-31-28(36-30)16-17-39(31)47(43,44)26-14-12-23(2)13-15-26/h7-18,25,27H,6,19-22H2,1-5H3/t25-,27+/m1/s1
InChI key:InChIKey=BFRDSFZFZQJXHN-VPUSJEBWSA-N
SMILES:S(=O)(=O)(N1C=2C(=NC(N(CC(=O)[C@@H]3[C@H](CC)CN(C(OCC4=CC=CC=C4)=O)C3)C(OC(C)(C)C)=O)=CN2)C=C1)C5=CC=C(C)C=C5
Synonyms:
  • Phenylmethyl (3R,4S)-3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-1-pyrrolidinecarboxylate
  • 1-Pyrrolidinecarboxylic acid, 3-[2-[[(1,1-dimethylethoxy)carbonyl][5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]acetyl]-4-ethyl-, phenylmethyl ester, (3R,4S)-
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