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HIT219599984
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HIT219599984
  • HIT ID:HIT219599984
  • Cas No:280774-64-3
  • 常用名:Cephaibol D
  • IUPAC:(2S)-2-{[(2S,4R)-1-(2-{2-[(2S)-2-(2-{2-[2-(2-{2-[(2S)-2-acetamido-3-phenylpropanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylpropanamido}-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]formamido}-N-{1-[(2S,4R)-4-hydroxy-2-({1-[(2S)-2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}pentanediamide
    IUPAC:(2S)-2-{[(2S,4R)-1-(2-{2-[(2S)-2-(2-{2-[2-(2-{2-[(2S)-2-acetamido-3-phenylpropanamido]-2-methylpropanamido}-2-methylpropanamido)-2-methylpropanamido]-2-methylpropanamido}acetamido)-4-methylpentanamido]-2-methylpropanamido}-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]formamido}-N-{1-[(2S,4R)-4-hydroxy-2-({1-[(2S)-2-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}carbamoyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}pentanediamide
  • InChI key:RJJBAWKMFSQLEV-HFUBJBBGSA-N
  • 分子式:C80H123N17O20
  • 分子量:1642.963
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)Cc1ccccc1
    SMILES:CC(C)C[C@H](NC(=O)CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](CO)Cc1ccccc1
  • Cephaibol D 可在 Aceromonium tubaKii DSM 12774 菌株中发现,并展现出一定的抗菌活性。
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    TargetMolSC
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