Name: Inostamycin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321342
Cas No:129905-10-8
常用名:Inostamycin A
IUPAC:(2R)-2-[(2R,3S,4R,5S,6R)-5-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxybutyl]-2,3',4-trimethyl-[2,2'-bioxolan]-5-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid
IUPAC:(2R)-2-[(2R,3S,4R,5S,6R)-5-ethyl-6-[(2S,3S,4S,6R)-6-[(2S,2'R,3'R,4S,5S,5'R)-5'-ethyl-2'-hydroxy-5'-[(1S)-1-hydroxybutyl]-2,3',4-trimethyl-[2,2'-bioxolan]-5-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3-methyloxan-2-yl]butanoic acid
InChI key:NZJHONRWXITMMC-LPMSCSBASA-N

分子式:C38H68O11
分子量:700.951
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1(O[C@@](C)(C[C@@H]1C)[C@]1(O)O[C@](CC)(C[C@H]1C)[C@@H](O)CCC)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1([H])O[C@@](O)([C@@H](CC)C(O)=O)[C@@H](C)[C@H](O)[C@@H]1CC
SMILES:[H][C@@]1(O[C@@](C)(C[C@@H]1C)[C@]1(O)O[C@](CC)(C[C@H]1C)[C@@H](O)CCC)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1([H])O[C@@](O)([C@@H](CC)C(O)=O)[C@@H](C)[C@H](O)[C@@H]1CC

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