Name: Hexa-D-arginine TFA
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218852365
Cas No:958204-56-3
常用名:Hexa-D-arginine TFA
别名:Furin Inhibitor II TFA
IUPAC:(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamido-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]pentanamide; trifluoroacetic acid
IUPAC:(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamido-N-[(1S)-4-carbamimidamido-1-carbamoylbutyl]pentanamide; trifluoroacetic acid
InChI key:PWFVPQZWAYQQHX-HNBYAGJUSA-N

分子式:C38H76F3N25O8
分子量:1068.188
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
SMILES:OC(=O)C(F)(F)F.N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O

Hexa-D-arginine TFA (Furin Inhibitor II TFA) is a furin inhibitor with Ki values of 0.106 μM for furin, 0.58 μM for PACE4, and 13.2 μM for PC1.

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