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HIT218667195
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HIT218667195
  • HIT ID:HIT218667195
  • Cas No:1313730-09-4
  • Common Name:(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid
    Common Name:(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid
  • IUPAC:(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid
    IUPAC:(2S)-6-amino-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]hexanamide; trifluoroacetic acid
  • InChI key:MYVYQWVNXDVTBW-HQORXVKSSA-N
  • Molecular Formula:C43H62F3N9O9S2
  • Molecular Weight:970.14
  • Hydrogen Bond Donor (HBD):
  • Hydrogen Bond Acceptor (HBA):
  • LogP:
  • SMILES:OC(=O)C(F)(F)F.CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
    SMILES:OC(=O)C(F)(F)F.CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O
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