Name: Anti-MRSA agent 21
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219201174
Cas No:3060716-02-8
常用名:Anti-MRSA agent 21
IUPAC:(1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-4a-[(4-chlorobenzenesulfonyl)carbamoyl]-1,2,6a,6b,9,9,15a-heptamethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,6bH,7H,8H,8aH,9H,10H,15H,15aH,15bH,16H,17bH-chryseno[2,1-b]carbazole-12-carboxylic acid
IUPAC:(1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-4a-[(4-chlorobenzenesulfonyl)carbamoyl]-1,2,6a,6b,9,9,15a-heptamethyl-1H,2H,3H,4H,4aH,5H,6H,6aH,6bH,7H,8H,8aH,9H,10H,15H,15aH,15bH,16H,17bH-chryseno[2,1-b]carbazole-12-carboxylic acid
InChI key:RCGVHOIJIZJGPV-JLLXMOMDSA-N

分子式:C43H53ClN2O5S
分子量:745.42
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NS(=O)(=O)c3ccc(Cl)cc3)[C@@]1(C)Cc1c([nH]c3cc(ccc13)C(O)=O)C2(C)C
SMILES:[H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(=O)NS(=O)(=O)c3ccc(Cl)cc3)[C@@]1(C)Cc1c([nH]c3cc(ccc13)C(O)=O)C2(C)C

Anti-MRSA agent 21 (Compound 27) 对 MRSA 展现抗菌活性，MIC 值为 1 μM。Anti-MRSA agent 21 通过破坏细菌细胞膜并增加活性氧发挥作用。

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