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HIT218698435
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HIT218698435
  • HIT ID:HIT218698435
  • Cas No:199727-68-9
  • Common Name:(2S)-6-amino-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-3-hydroxybutanamido]hexanoic acid
    Common Name:(2S)-6-amino-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-3-hydroxybutanamido]hexanoic acid
  • IUPAC:(2S)-6-amino-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-3-hydroxybutanamido]hexanoic acid
    IUPAC:(2S)-6-amino-2-[(2S,3R)-2-{2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylbutanamido]-4-methylpentanamido]-3-hydroxypropanamido]-3-phenylpropanamido]-3-methylpentanamido]hexanamido]acetamido}-3-hydroxybutanamido]hexanoic acid
  • InChI key:KBYAVSUZGDPFOZ-LERFSCLPSA-N
  • Molecular Formula:C53H93N15O13
  • Molecular Weight:1148.419
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(O)=O
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