Diacetyl Agrochelin
HIT214323525
sdf文件结构编辑类似物检索
HIT ID: HIT214323525
Cas No: 247115-75-9
分子式: C27H38N2O6S2
分子量: 550.73
常用名: Diacetyl Agrochelin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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|
InChI key: KPIMBUIUWUCKQR-VYVQKFEUSA-N
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