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HIT218698605
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HIT218698605
  • HIT ID:HIT218698605
  • Cas No:901117-03-1
  • Common Name:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-acetamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanoic acid
    Common Name:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-acetamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanoic acid
  • IUPAC:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-acetamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanoic acid
    IUPAC:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-(2-acetamidoacetamido)propanamido]butanamido]-3-phenylpropanamido]-3-hydroxypropanamido]hexanamido]-3-hydroxybutanamido]propanamido]propanamido]hexanoic acid
  • InChI key:KCSNGWMKFYVMKF-HGYIIGRXSA-N
  • Molecular Formula:C46H75N13O15
  • Molecular Weight:1050.182
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
    SMILES:C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O
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