Name: Muscotoxin A
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322728
Cas No:1653999-47-3
常用名:Muscotoxin A
IUPAC:3-[(6R,13S,19R,22S,28S,31R,34S)-34-benzyl-19,31-bis[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-1,4,7,11,17,20,23,26,29,32,35-undecaazatricyclo[35.3.0.0^{13,17}]tetracontan-6-yl]propanamide
IUPAC:3-[(6R,13S,19R,22S,28S,31R,34S)-34-benzyl-19,31-bis[(2S)-butan-2-yl]-25-ethylidene-9-hydroxy-10-(2-hydroxyheptyl)-22,28-bis(hydroxymethyl)-2,5,8,12,18,21,24,27,30,33,36-undecaoxo-1,4,7,11,17,20,23,26,29,32,35-undecaazatricyclo[35.3.0.0^{13,17}]tetracontan-6-yl]propanamide
InChI key:WYLYXGBHDIWORI-KLEWLWSWSA-N

分子式:C58H90N12O16
分子量:1211.426
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@]([H])(NC(=O)[C@H](CO)NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CCCCC)NC2=O)[C@@H](C)CC)=CC)[C@@H](C)CC |w:83.87|
SMILES:[H][C@@]12CCCN1C(=O)[C@]([H])(NC(=O)[C@H](CO)NC(=O)C(NC(=O)[C@H](CO)NC(=O)[C@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCN1C(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)C(CC(O)CCCCC)NC2=O)[C@@H](C)CC)=CC)[C@@H](C)CC |w:83.87|

Muscotoxin A is an ADC cytotoxin with lipopeptide properties that effectively permeabilizes mammalian cell membranes, ultimately inducing necrotic cell death.

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