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HIT218698230
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HIT218698230
  • HIT ID:HIT218698230
  • Cas No:160212-93-1
  • Common Name:(2S,3S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-methylpentanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
    Common Name:(2S,3S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-methylpentanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
  • IUPAC:(2S,3S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-methylpentanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
    IUPAC:(2S,3S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-methylpentanamido]acetamido}-3-methylpentanamido]-3-methylbutanamido]-3-sulfanylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanoic acid
  • InChI key:CEZGUHHOZXJLRF-ZWPFISNSSA-N
  • Molecular Formula:C37H66N8O10S
  • Molecular Weight:815.04
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(C)C)C(O)=O
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