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HIT218697988
  • HIT ID:HIT218697988
  • Cas No:156761-76-1
  • Common Name:(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-[(2S)-2-({2-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
    Common Name:(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-[(2S)-2-({2-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
  • IUPAC:(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-[(2S)-2-({2-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
    IUPAC:(4S)-4-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-5-[(2S)-2-({2-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-carboxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid
  • InChI key:BLEZYVGGTWZGPY-YDTVLPSFSA-N
  • Molecular Formula:C44H67N9O14
  • Molecular Weight:946.069
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
    SMILES:CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
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