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CAS 1873316-01-8

:

N-[[2-[[[4-[(E)-Amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester

Description:
The chemical substance N-[[2-[[[4-[(E)-Amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester, with CAS number 1873316-01-8, is a complex organic compound characterized by its multi-functional structure. It features a benzimidazole core, which is known for its biological activity, and incorporates various functional groups such as amino, carbonyl, and ester moieties. The presence of the ethyl ester group suggests potential lipophilicity, which may influence its solubility and permeability properties. Additionally, the compound contains a pyridine ring, contributing to its aromatic character and possibly enhancing its interaction with biological targets. The overall structure indicates potential applications in medicinal chemistry, particularly in drug design, due to its diverse functional groups that may facilitate interactions with biomolecules. However, specific properties such as melting point, solubility, and biological activity would require empirical data for comprehensive characterization.
Formula:C34H41N7O5
InChI:InChI=1S/C34H41N7O5/c1-5-23(6-2)22-46-34(44)39-32(35)24-11-14-26(15-12-24)37-21-30-38-27-20-25(13-16-28(27)40(30)4)33(43)41(19-17-31(42)45-7-3)29-10-8-9-18-36-29/h8-16,18,20,23,37H,5-7,17,19,21-22H2,1-4H3,(H2,35,39,44)
InChI key:InChIKey=FLKVNYQKJOGRLQ-UHFFFAOYSA-N
SMILES:CN1C=2C(=CC(C(N(CCC(OCC)=O)C3=CC=CC=N3)=O)=CC2)N=C1CNC4=CC=C(C(NC(OCC(CC)CC)=O)=N)C=C4
Synonyms:
  • N-[[2-[[[4-[(E)-Amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-alanine ethyl ester
  • β-Alanine, N-[[2-[[[4-[(E)-amino[[(2-ethylbutoxy)carbonyl]imino]methyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
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