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HIT218810348
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HIT218810348
  • HIT ID:HIT218810348
  • Cas No:
  • Common Name:(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid; acetic acid
    Common Name:(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid; acetic acid
  • IUPAC:(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid; acetic acid
    IUPAC:(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-methylpentanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]hexanamido]-4-methylpentanoic acid; acetic acid
  • InChI key:UFZNEZVENCONQB-ILVASHMWSA-N
  • Molecular Formula:C44H72N10O15
  • Molecular Weight:981.115
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
    SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
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