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HIT218697947
  • HIT ID:HIT218697947
  • Cas No:153045-21-7
  • Common Name:(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanoic acid
    Common Name:(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanoic acid
  • IUPAC:(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanoic acid
    IUPAC:(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-methylpentanamido]-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-3-methylbutanamido]propanamido]-3-hydroxybutanamido]-3-methylbutanoic acid
  • InChIKey:OLLATZWLQXKRHY-JJURSQSHSA-N
  • Molecular Formula:C42H74N10O12S
  • Molecular Weight:943.17
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
    SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(O)=O
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