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HIT218851961
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HIT218851961
  • HIT ID:HIT218851961
  • Cas No:123209-95-0
  • 常用名:Type A Allatostatin I
  • IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}propanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]pentanediamide
    IUPAC:(2S)-2-[(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]acetamido}propanamido]-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-[({[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}methyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}butyl]pentanediamide
  • InChI key:SDAFHXYVWUEZIJ-LRHNFOCQSA-N
  • 分子式:C61H94N18O16
  • 分子量:1335.533
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O
    SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O
  • Type A Allatostatin I is a tridecapeptide that falls under the category of pleiotropic neuropeptides. These neuropeptides are known for their ability to inhibit the synthesis of juvenile hormone in insects.
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