Name: Diacetyl Agrochelin
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214323525
Cas No:247115-75-9
常用名:Diacetyl Agrochelin
IUPAC:(3S)-3-(acetyloxy)-3-[(2S,4R)-2-[(4R)-2-[2-(acetyloxy)-6-pentylphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2,2-dimethylpropanoic acid
IUPAC:(3S)-3-(acetyloxy)-3-[(2S,4R)-2-[(4R)-2-[2-(acetyloxy)-6-pentylphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidin-4-yl]-2,2-dimethylpropanoic acid
InChI key:KPIMBUIUWUCKQR-VYVQKFEUSA-N

分子式:C27H38N2O6S2
分子量:550.73
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CS[C@]([H])(N1C)[C@@]1([H])CSC(=N1)c1c(CCCCC)cccc1OC(C)=O)[C@@H](OC(C)=O)C(C)(C)C(O)=O |c:13|
SMILES:[H][C@]1(CS[C@]([H])(N1C)[C@@]1([H])CSC(=N1)c1c(CCCCC)cccc1OC(C)=O)[C@@H](OC(C)=O)C(C)(C)C(O)=O |c:13|

Diacetyl Agrochelin, an acetyl derivative of Agrochelin, is a compound synthesized through the fermentation of marine Agrobacterium sp. It possesses cytotoxic properties against tumor cell lines.

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