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HIT218698611
  • HIT ID:HIT218698611
  • Cas No:150671-04-8
  • Common Name:(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-methylpentanamido]hexanamido]hexanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]propanamido]hexanamido]hexanamido]-3-methylpentanamido]acetamido}hexanamido]-3-methylpentanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]hexanamido]propanamido]propanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
    Common Name:(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-methylpentanamido]hexanamido]hexanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]propanamido]hexanamido]hexanamido]-3-methylpentanamido]acetamido}hexanamido]-3-methylpentanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]hexanamido]propanamido]propanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
  • IUPAC:(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-methylpentanamido]hexanamido]hexanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]propanamido]hexanamido]hexanamido]-3-methylpentanamido]acetamido}hexanamido]-3-methylpentanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]hexanamido]propanamido]propanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
    IUPAC:(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylpentanamido]acetamido}-3-hydroxypropanamido]propanamido]-4-methylpentanamido]hexanamido]hexanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanamido]propanamido]hexanamido]hexanamido]-3-methylpentanamido]acetamido}hexanamido]-3-methylpentanamido]propanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]propanamido]hexanamido]propanamido]propanamido]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid
  • InChI key:KQXGJUOSTKVDEE-NWKXLRNUSA-N
  • Molecular Formula:C135H243N35O32
  • Molecular Weight:2868.642
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O
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