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  1. AF12198, Antagonist of Interleukin-1 receptor; type I;Antagonist of Interleukin-2 receptor
    Cas Number: 185413-30-3        Compound CID:  16135237
    Formula:  C96H123N19O22        Molecular Weight: 1895.12
    IUPAC Name:  (4S)-4-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(show more
    SMILES:  CC(C)CC(C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C3CCN3C(=O)C(CCC(=O)N)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CNC6=CC=CCshow more
    InChIKey: VASLMBMCJADVGR-XQDBXYBUSA-N
    InChI:  InChI=1S/C96H123N19O22/c1-51(2)41-69(83(98)124)107-92(133)77-24-16-38-113(77)95(136)75(42-52(3)4)111-84(125)53(5)102-86(127)71(44-57-25-29-61(118)30-2show more
    Synonyms: AF 12198 | AF-12198
  2. L-Trp-Trp-Trp, Agonist of TAS2R14;Agonist of TAS2R1;Agonist of TAS2R39;Agonist of TAS2R46;Agonist of TAS2R4
    IUPAC Name:  (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
    SMILES:  C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)O)N
    InChIKey: KRCAKIVDAFTTGJ-ARVREXMNSA-N
    InChI:  InChI=1S/C33H32N6O4/c34-25(13-19-16-35-26-10-4-1-7-22(19)26)31(40)38-29(14-20-17-36-27-11-5-2-8-23(20)27)32(41)39-30(33(42)43)15-21-18-37-28-12-6-3-9-show more
    Synonyms: Trp-Trp-Trp | (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1...
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