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HIT214323849
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HIT214323849
  • HIT ID:HIT214323849
  • Cas No:440645-08-9
  • 常用名:α-Synuclein (61-75)
  • IUPAC:(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-({[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}butanoic acid
    IUPAC:(4S)-4-amino-4-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-({[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2R)-1-[({[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}methyl)carbamoyl]methyl}carbamoyl)-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}propyl]carbamoyl}butanoic acid
  • InChI key:BLNGPBLOXXYPMY-ARWHJJERSA-N
  • 分子式:C60H103N17O23
  • 分子量:1430.58
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |@:1,81|
    SMILES:CC(C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |@:1,81|
  • α-Synuclein (61-75) is a peptide fragment derived from the larger protein α-Synuclein. α-Synuclein is predominantly found in presynaptic nerve terminals and is considered to be a biomarker candidate for Parkinson's disease (PD).
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