Name: Berlopentin
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212689394
Cas No:91418-71-2
常用名:Berlopentin
别名:DA SP-5
IUPAC:(4S)-4-[(2S)-2-[(2S)-5-carbamimidamido-2-acetamidopentanamido]-6-acetamidohexanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-5-carbamimidamido-2-acetamidopentanamido]-6-acetamidohexanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid
InChI key:KSWRINCJIKCVPA-RRUDZPKISA-N

分子式:C35H55N9O11
分子量:777.877
氢键供体数 (HBD):12
氢键受体数 (HBA):14
LogP:-4.2263303
SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

Berlopentin is splenopentin analog used to treat HIV-positive patients. It also has immunostimulatory properties.

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