Name: Protease-Activated Receptor-4 diTFA
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212655960
Cas No:2918763-29-6
常用名:Protease-Activated Receptor-4 diTFA
常用名:Protease-Activated Receptor-4 diTFA
别名:Protease-Activated Receptor-4 diTFA(245443-52-1(free base))
别名:Protease-Activated Receptor-4 diTFA(245443-52-1(free base))
IUPAC:(2S)-6-amino-2-(2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}acetamido)-N-[(1S)-1-carbamoyl-2-phenylethyl]hexanamide; bis(trifluoroacetic acid)
IUPAC:(2S)-6-amino-2-(2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}acetamido)-N-[(1S)-1-carbamoyl-2-phenylethyl]hexanamide; bis(trifluoroacetic acid)
InChI key:AKBHJECXYCYDMD-OSQDUZRTSA-N

分子式:C37H48F6N8O11
分子量:894.826
氢键供体数 (HBD):8
氢键受体数 (HBA):9
LogP:-2.902557
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

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