Name: Dirucotide
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584803
Cas No:
常用名:Dirucotide
别名:MBP8298
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-3-carbamoyl-1-oxopropan-2-yl]carbamoyl}-4-[(2S)-2-amino-3-carboxypropanamido]butanoic acid
IUPAC:(4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-1-{[(1S,2S)-1-{[(1S)-1-{[(2S,3R)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-carbamoylethyl]carbamoyl}pentyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-3-carbamoyl-1-oxopropan-2-yl]carbamoyl}-4-[(2S)-2-amino-3-carboxypropanamido]butanoic acid
InChI key:RCTCWZRPYFBGLQ-WMCRPSJMSA-N

分子式:C92H141N25O26
分子量:2013.289
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)C(O)=O

Dirucotide (MBP8298) 是一种合成的肽，含有17个氨基酸，其序列与人类髓鞘碱性蛋白的部分序列一致。该化合物主要用于多发性硬化症（MS）等中枢神经系统自身免疫性疾病的研究。

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