Name: Pneumocandin A1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219619186
Cas No:135862-90-7
常用名:Pneumocandin A1
IUPAC:N-[3-(2-carbamoyl-1-hydroxyethyl)-11,20,21,25-tetrahydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-10,12-dimethyltetradecanamide
IUPAC:N-[3-(2-carbamoyl-1-hydroxyethyl)-11,20,21,25-tetrahydroxy-6-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaazatricyclo[22.3.0.0^{9,13}]heptacosan-18-yl]-10,12-dimethyltetradecanamide
InChI key:InChIKey=QHYUKZZCYGMWMK-UHFFFAOYSA-N

分子式:C51H82N8O16
分子量:1063.257
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(NC(=O)C(CC(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(NC1=O)C(C)O)C(O)CC(N)=O
SMILES:CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(NC(=O)C(CC(O)c2ccc(O)cc2)NC(=O)C2CC(O)CN2C(=O)C(NC1=O)C(C)O)C(O)CC(N)=O

Pneumocandin A1 是一种脂肽类抗生素，具有显著的抗念珠菌活性，能够在体外抑制 1,3 β-D-葡聚糖的合成，其IC50为 0.07-0.5 μg/mL。

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