Name: Ac-MBP (1-11)
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218851981
Cas No:125366-42-9
常用名:Ac-MBP (1-11)
别名:Ac-MBP 1-11
IUPAC:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-acetamidopropanamido]-3-hydroxypropanamido]butanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]hexanoic acid
IUPAC:(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2S)-2-acetamidopropanamido]-3-hydroxypropanamido]butanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-4-carbamoylbutanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]hexanoic acid
InChI key:VSLBHJREWNQGFM-ZGHYDAQISA-N

分子式:C53H95N21O18
分子量:1314.472
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O
SMILES:C[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O

Ac-MBP 1-11, a primary encephalitogenic epitope in myelin basic protein (MBP), is a dominant short peptide sequence[1].

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