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HIT218658594
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HIT218658594
  • HIT ID:HIT218658594
  • Cas No:35115-60-7
  • Common Name:(2S)-1-[(2S)-1-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoyl]pyrrolidin-2-yl]formamido}pentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
    Common Name:(2S)-1-[(2S)-1-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoyl]pyrrolidin-2-yl]formamido}pentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
  • IUPAC:(2S)-1-[(2S)-1-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoyl]pyrrolidin-2-yl]formamido}pentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
    IUPAC:(2S)-1-[(2S)-1-[(2S,3S)-2-[(2S)-2-{[(2S)-1-[(2S)-5-carbamimidamido-2-{[(2S)-1-[(2S)-3-(1H-indol-3-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoyl]pyrrolidin-2-yl]formamido}pentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
  • InChI key:UUUHXMGGBIUAPW-CSCXCSGISA-N
  • Molecular Formula:C53H76N14O12
  • Molecular Weight:1101.277
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O
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