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HIT218698247
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HIT218698247
  • HIT ID:HIT218698247
  • Cas No:1315378-69-8
  • Common Name:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-carboxybutanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
    Common Name:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-carboxybutanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
  • IUPAC:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-carboxybutanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
    IUPAC:(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylpentanamido]-4-carboxybutanamido]propanamido]-3-methylbutanamido]hexanamido]-3-methylpentanoic acid
  • InChI key:SODUKHPKIVEQLX-OCXIBOJYSA-N
  • Molecular Formula:C60H93N13O17
  • Molecular Weight:1268.478
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)CC)C(C)C)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)[C@@H](C)CC)C(C)C)C(O)=O
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