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HIT218698027
  • HIT ID:HIT218698027
  • Cas No:138147-78-1
  • Common Name:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-ylformamido]pentanediamide
    Common Name:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-ylformamido]pentanediamide
  • IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-{[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-yl]formamido}pentanediamide
    IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-{[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-yl]formamido}pentanediamide
  • InChI key:IUYCRRDHLJIJBB-QAGBKCHLSA-N
  • Molecular Formula:C56H79N15O9
  • Molecular Weight:1106.344
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1Cc2c(CN1)[nH]c1ccccc21)C(C)C
    SMILES:CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1Cc2c(CN1)[nH]c1ccccc21)C(C)C
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