Name: Lipopeptin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212716981
Cas No:73666-47-4
常用名:Lipopeptin A
IUPAC:3-[9-benzyl-6-(2-carbamoyl-1-hydroxyethyl)-12-(carbamoylmethyl)-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-(12-methyltetradecanamido)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-3-yl]propanoic acid
IUPAC:3-[9-benzyl-6-(2-carbamoyl-1-hydroxyethyl)-12-(carbamoylmethyl)-21-(carboxymethyl)-15,18-bis(hydroxymethyl)-10,13,25-trimethyl-24-(12-methyltetradecanamido)-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-3-yl]propanoic acid
InChI key:AXMACOGXBDPVJT-UHFFFAOYSA-N

分子式:C54H84N10O19
分子量:1177.317
氢键供体数 (HBD):13
氢键受体数 (HBA):18
LogP:-3.1164992
SMILES:CCC(C)CCCCCCCCCCC(=O)NC1C(C)OC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC1=O)C(O)CC(N)=O
SMILES:CCC(C)CCCCCCCCCCC(=O)NC1C(C)OC(=O)C(CCC(O)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)N(C)C(=O)C(CC(N)=O)N(C)C(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC1=O)C(O)CC(N)=O

Lipopeptin A is a lipoprotein subclass that is a risk factor for atherosclerotic diseases such as coronary heart disease and stroke.

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