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HIT218698604
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HIT218698604
  • HIT ID:HIT218698604
  • Cas No:123025-94-5
  • 常用名:Prepro VIP (111-122), human
  • IUPAC:(4S)-4-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-hydroxypropanamido]-4-{[(2S)-3-carboxy-1-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
    IUPAC:(4S)-4-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-hydroxypropanamido]-4-{[(2S)-3-carboxy-1-[(2S)-2-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
  • InChI key:HKKDGJFKJBWDQK-FYKWFVNCSA-N
  • 分子式:C53H87N13O21
  • 分子量:1242.349
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(O)=O
  • Prepro VIP (111-122), human, is a peptide derived from prepro-vasoactive intestinal polypeptide (VIP), corresponding to residues 111-122.
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