Name: Tubulysin A
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212664882
Cas No:205304-86-5
常用名:Tubulysin A
别名:TubA
IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2R,3S)-3-methyl-N-{[(3-methylbutanoyl)oxy]methyl}-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
IUPAC:(2S,4R)-4-({2-[(1R,3R)-1-(acetyloxy)-4-methyl-3-[(2R,3S)-3-methyl-N-{[(3-methylbutanoyl)oxy]methyl}-2-{[(2R)-1-methylpiperidin-2-yl]formamido}pentanamido]pentyl]-1,3-thiazol-4-yl}formamido)-5-(4-hydroxyphenyl)-2-methylpentanoic acid
InChI key:IBEDDHUHZBDXGB-OEJISELMSA-N

分子式:C43H65N5O10S
分子量:844.08
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:3.3528643
SMILES:[H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C
SMILES:[H][C@](NC(=O)[C@H]1CCCCN1C)([C@@H](C)CC)C(=O)N(COC(=O)CC(C)C)[C@H](C[C@@H](OC(C)=O)c1nc(cs1)C(=O)N[C@H](C[C@H](C)C(O)=O)Cc1ccc(O)cc1)C(C)C

Tubulysin A is a natural product from myxobacterial. It has many function in vitro assays, including anti-microtubule, anti-mitotic, an apoptosis inducer, anticancer, and anti-angiogenic.

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