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HIT218661851
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HIT218661851
  • HIT ID:HIT218661851
  • Cas No:184865-04-1
  • Common Name:(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]acetamido}acetamido)-3-methylbutanamido]-3-methylbutanoic acid
    Common Name:(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]acetamido}acetamido)-3-methylbutanamido]-3-methylbutanoic acid
  • IUPAC:(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]acetamido}acetamido)-3-methylbutanamido]-3-methylbutanoic acid
    IUPAC:(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylpentanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-4-(methylsulfanyl)butanamido]-3-methylbutanamido]acetamido}acetamido)-3-methylbutanamido]-3-methylbutanoic acid
  • InChIKey:CBRNMAKKYFYZMI-MXIVLKIWSA-N
  • Molecular Formula:C49H88N12O13S
  • Molecular Weight:1085.37
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
    SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(O)=O
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