Name: Unguisin B
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214322061
Cas No:226956-07-6
常用名:Unguisin B
IUPAC:(3R,6R,12S,18R)-3-[(1H-indol-3-yl)methyl]-6,18-dimethyl-12-(2-methylpropyl)-9,15-bis(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone
IUPAC:(3R,6R,12S,18R)-3-[(1H-indol-3-yl)methyl]-6,18-dimethyl-12-(2-methylpropyl)-9,15-bis(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptone
InChI key:STCFDPSTGTYYBQ-ICFLXRMOSA-N

分子式:C37H56N8O7
分子量:724.904
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)C(NC1=O)C(C)C)C(C)C |@@:46,49|
SMILES:CC(C)C[C@@H]1NC(=O)C(NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)C(NC1=O)C(C)C)C(C)C |@@:46,49|

Unguisin B is a cyclic heptapeptide originally isolated from the marine fungus E. unguis whose structure is comprised of amino acids and GABA.

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