Name: Hepcidin-25 (human)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850945
Cas No:1356390-47-0
常用名:Hepcidin-25 (human)
IUPAC:(2S,3R)-2-[(2S)-6-amino-2-{[(1R,4R,10R,13R,16S,19S,22R,27R,30R,33S,39R,42S,45S,48S,51S)-22-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-42-(4-aminobutyl)-16-benzyl-19-[(2S)-butan-2-yl]-48-(3-carbamimidamidopropyl)-45-(hydroxymethyl)-51-[(1H-imidazol-5-yl)methyl]-33-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,29,32,35,38,41,44,47,50,53-hexadecaoxo-24,25,55,56,59,60,63,64-octathia-2,5,8,11,14,17,20,28,31,34,37,40,43,46,49,52-hexadecaazatetracyclo[28.23.4.4^{4,13}.4^{10,39}]pentahexacontan-27-yl]formamido}hexanamido]-3-hydroxybutanoic acid
IUPAC:(2S,3R)-2-[(2S)-6-amino-2-{[(1R,4R,10R,13R,16S,19S,22R,27R,30R,33S,39R,42S,45S,48S,51S)-22-[(2S,3S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-5-yl)propanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-42-(4-aminobutyl)-16-benzyl-19-[(2S)-butan-2-yl]-48-(3-carbamimidamidopropyl)-45-(hydroxymethyl)-51-[(1H-imidazol-5-yl)methyl]-33-[2-(methylsulfanyl)ethyl]-3,6,9,12,15,18,21,29,32,35,38,41,44,47,50,53-hexadecaoxo-24,25,55,56,59,60,63,64-octathia-2,5,8,11,14,17,20,28,31,34,37,40,43,46,49,52-hexadecaazatetracyclo[28.23.4.4^{4,13}.4^{10,39}]pentahexacontan-27-yl]formamido}hexanamido]-3-hydroxybutanoic acid
InChI key:XJOTXKZIRSHZQV-RXHOOSIZSA-N

分子式:C113H170N34O31S9
分子量:2789.35
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)CNC3=O)C(=O)N[C@@]([H])(CSSC[C@]([H])(NC(=O)[C@H](CCSC)NC(=O)CNC1=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N2
SMILES:[H][C@]12CSSC[C@]3([H])NC(=O)[C@]4([H])CSSC[C@]([H])(NC(=O)CNC3=O)C(=O)N[C@@]([H])(CSSC[C@]([H])(NC(=O)[C@H](CCSC)NC(=O)CNC1=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N2

Hepcidin-25 (human) 是调节铁代谢的化合物，具有调控铁介导的氧化损伤功能，并表现出抗炎和抗菌活性。

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