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HIT218851937
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HIT218851937
  • HIT ID:HIT218851937
  • Cas No:144025-82-1
  • 常用名:PACAP-38 (16-38), human, mouse, rat
    常用名:PACAP-38 (16-38), human, mouse, rat
  • IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-methylbutanamido]hexanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]propanamido]propanamido]-3-methylbutanamido]-4-methylpentanamido]acetamido}hexanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]pentanediamide
    IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pentyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-methylbutanamido]hexanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]propanamido]propanamido]-3-methylbutanamido]-4-methylpentanamido]acetamido}hexanamido]-5-carbamimidamidopentanamido]-3-(4-hydroxyphenyl)propanamido]hexanamido]pentanediamide
  • InChI key:JNNCPZMLQNUITC-XXTJCUDBSA-N
  • 分子式:C123H215N39O28S
  • 分子量:2720.38
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
    SMILES:CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O
  • PACAP-38 (16-38), human, mouse, rat, exhibits potent, efficacious, and sustained stimulatory effects on sympathetic neuronal NPY and catecholamine production.
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    TargetMolSC
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