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HIT217576387
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HIT217576387
  • HIT ID:HIT217576387
  • Cas No:70375-24-5
  • 常用名:tert-butyl N-[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate hydrochloride
    常用名:tert-butyl N-[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxochromen-7-yl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate hydrochloride
  • IUPAC:tert-butyl N-[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate hydrochloride
    IUPAC:tert-butyl N-[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate hydrochloride
  • InChI key:ROQGJTZGLVLVIN-AAJWHBHYSA-N
  • 分子式:C31H46ClN7O7
  • 分子量:664.2
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:Cl.CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
    SMILES:Cl.CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1
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