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HIT212716529
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HIT212716529
  • HIT ID:HIT212716529
  • Cas No:186538-00-1
  • 常用名:JE-2147
  • 别名:JE2147, JE 2147, AG-1776, AG1776, AG 1776
    别名:JE2147, JE 2147, AG-1776, AG1776, AG 1776
  • IUPAC:(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
    IUPAC:(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
  • InChI key:CUFQBQOBLVLKRF-RZDMPUFOSA-N
  • 分子式:C32H37N3O5S
  • 分子量:575.72
  • 氢键供体数 (HBD):4
  • 氢键受体数 (HBA):5
  • LogP:4.226839
  • SMILES:Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
    SMILES:Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C
  • JE-2147 belongs to a type of compound known as hybrid peptides. The compound contains at least two different kinds of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
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