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HIT218698405
  • HIT ID:HIT218698405
  • Cas No:168202-46-8
  • Common Name:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]propanamido]hexanamido]hexanamido]hexanoic acid
    Common Name:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]propanamido]hexanamido]hexanamido]hexanoic acid
  • IUPAC:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]propanamido]hexanamido]hexanamido]hexanoic acid
    IUPAC:(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]propanamido]hexanamido]hexanamido]hexanoic acid
  • InChIKey:CAYYTKIKSCMCIV-AUMVQHBRSA-N
  • Molecular Formula:C64H101N15O16
  • Molecular Weight:1336.601
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(O)=O
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