Name: alpha-1 antitrypsin fragment
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212709499
Cas No:
常用名:alpha-1 antitrypsin fragment
IUPAC:6-amino-2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-amino-4-methylpentanamido)-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido}-4-methylpentanamido)-4-carboxybutanamido]-3-carbamoylpropanamido}-4-carboxybutanamido)-4-methylpentanamido]-3-hydroxybutanamido}-3-(1H-imidazol-4-yl)propanamido)-3-carboxypropanamido]-3-methylpentanamido}-3-methylpentanamido)-3-hydroxybutanamido]hexanoic acid
IUPAC:6-amino-2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-amino-4-methylpentanamido)-4-carbamoylbutanamido]-3-(1H-imidazol-4-yl)propanamido}-4-methylpentanamido)-4-carboxybutanamido]-3-carbamoylpropanamido}-4-carboxybutanamido)-4-methylpentanamido]-3-hydroxybutanamido}-3-(1H-imidazol-4-yl)propanamido)-3-carboxypropanamido]-3-methylpentanamido}-3-methylpentanamido)-3-hydroxybutanamido]hexanoic acid
InChI key:GJBLBQRTTUGTQD-UHFFFAOYSA-N

分子式:C79H130N22O26
分子量:1804.037
氢键供体数 (HBD):26
氢键受体数 (HBA):30
LogP:-16.639954
SMILES:CCC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(C)C)C(C)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(O)=O
SMILES:CCC(C)C(NC(=O)C(CC(O)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(O)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CCC(N)=O)NC(=O)C(N)CC(C)C)C(C)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(O)=O

Alpha-1 antitrypsin (A1AT) is known as a serum trypsin inhibitor and is a protease inhibitor belonging to the serpin superfamily. Alpha-1 antitrypsin is a single-chain glycoprotein consisting of 394 amino acids in the mature form and exhibits a number of glycoforms.

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