Name: Allosamidin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318265
Cas No:103782-08-7
常用名:Allosamidin
别名:A-82516, A82516, A 82516
IUPAC:N-[(2R,3R,4S,5S,6R)-2-{[(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazol-5-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
IUPAC:N-[(2R,3R,4S,5S,6R)-2-{[(3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-3aH,4H,5H,6H,6aH-cyclopenta[d][1,3]oxazol-5-yl]oxy}-5-{[(2S,3R,4S,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
InChI key:MDWNFWDBQGOKNZ-XYUDZHFQSA-N

分子式:C25H42N4O14
分子量:622.625
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OC(=N[C@]1([H])[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H]1NC(C)=O)[C@H]2CO)N(C)C |c:3|
SMILES:[H][C@@]12OC(=N[C@]1([H])[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H]1NC(C)=O)[C@H]2CO)N(C)C |c:3|

Allosamidin, a chitinase inhibitor and typical secondary metabolite of Streptomyces, may be used as a pesticide and anti-asthmatic agent.

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