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HIT218698026
  • HIT ID:HIT218698026
  • Cas No:210229-94-0
  • Common Name:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid
    Common Name:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]hexanamido]-3-methylbutanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-methylpentanamido]butanedioic acid
  • InChI key:CBJHOJFUCHZZPM-JYVGZVKCSA-N
  • Molecular Formula:C50H90N14O17
  • Molecular Weight:1159.351
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O
    SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O
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