Name: WS 9326A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214317846
Cas No:125774-71-2
常用名:WS 9326A
别名:WS9326A, WS-326A
IUPAC:N-[12-benzyl-6-(carbamoylmethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-3-[2-(pent-1-en-1-yl)phenyl]prop-2-enamide
IUPAC:N-[12-benzyl-6-(carbamoylmethyl)-9-(1-hydroxyethyl)-3-(hydroxymethyl)-18-[(4-hydroxyphenyl)methylidene]-19,22-dimethyl-15-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-3-[2-(pent-1-en-1-yl)phenyl]prop-2-enamide
InChI key:BVVWVQZZLUNSNV-UHFFFAOYSA-N

分子式:C54H68N8O13
分子量:1037.181
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCCC=Cc1ccccc1C=CC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(=Cc2ccc(O)cc2)N(C)C1=O)C(C)O |w:12.13,4.4,60.62|
SMILES:CCCC=Cc1ccccc1C=CC(=O)NC1C(C)OC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(=Cc2ccc(O)cc2)N(C)C1=O)C(C)O |w:12.13,4.4,60.62|

WS 9326A is an antagonist of tachykinin receptor from Streptomyces violaceusniger.

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