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HIT218677136
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HIT218677136
  • HIT ID:HIT218677136
  • Cas No:676367-27-4
  • Common Name:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-carbamoylbutanamido]-3-phenylpropanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid
    Common Name:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-carbamoylbutanamido]-3-phenylpropanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid
  • IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-carbamoylbutanamido]-3-phenylpropanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid
    IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}acetamido)-4-carbamoylbutanamido]-3-phenylpropanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid
  • InChIKey:QLVGSBXIQFERFK-NBBYSTNSSA-N
  • Molecular Formula:C54H66N10O13
  • Molecular Weight:1063.179
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O
    SMILES:C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(O)=O
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