Name: Beauvericin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320767
Cas No:165467-50-5
常用名:Beauvericin A
IUPAC:(3S,6R,9S,15S)-3,9,15-tribenzyl-6-[(2S)-butan-2-yl]-4,10,16-trimethyl-12,18-bis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
IUPAC:(3S,6R,9S,15S)-3,9,15-tribenzyl-6-[(2S)-butan-2-yl]-4,10,16-trimethyl-12,18-bis(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
InChI key:JQUGYVKOYKGIRB-PGTGAOIBSA-N

分子式:C46H59N3O9
分子量:797.99
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(OC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C)C(C)C)[C@@H](C)CC |@:49,@@:52|
SMILES:[H][C@@]1(OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(OC(=O)[C@H](Cc2ccccc2)N(C)C1=O)C(C)C)C(C)C)[C@@H](C)CC |@:49,@@:52|

Beauvericin A is a cyclodepsipeptide and derivative of beauvericin originally isolated fromB. bassianathat has diverse biological activities.1,2,3It is active againstM. tuberculosis(MIC = 25 μg/ml) andP. falciparum(IC50= 12 μg/ml).2Beauvericin A is toxic to brine shrimp (LD100= 32 μg/ml).3

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