Name: Kahalalide A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317869
Cas No:179733-11-0
常用名:Kahalalide A
IUPAC:(2S)-N-[(1R)-1-{[(3S,6S,9R,12R,15R,18S,19R)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-2-phenylethyl]-2-methylbutanamide
IUPAC:(2S)-N-[(1R)-1-{[(3S,6S,9R,12R,15R,18S,19R)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-2-phenylethyl]-2-methylbutanamide
InChI key:WEBZVDAMOOBHRC-XANYQRGZSA-N

分子式:C46H67N7O11
分子量:894.08
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](CO)NC1=O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](CO)NC1=O)[C@@H](C)O

Kahalalide A has antimycobacterial activity isolated from the mollusk Elysia rufescens.

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