Name: PNU-159682 carboxylic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212666544
Cas No:1204819-92-0
常用名:PNU-159682 carboxylic acid
IUPAC:(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
IUPAC:(2S,4S)-2,5,12-trihydroxy-7-methoxy-4-{[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.0^{2,7}]tridecan-4-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-2-carboxylic acid
InChI key:QRJDFOACHALIRS-LURYFDOKSA-N

分子式:C31H33NO13
分子量:627.599
氢键供体数 (HBD):4
氢键受体数 (HBA):14
LogP:2.020473
SMILES:[H][C@]12O[C@]3([H])[C@H](C)O[C@]([H])(C[C@]3([H])N1CCO[C@@H]2OC)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(O)=O
SMILES:[H][C@]12O[C@]3([H])[C@H](C)O[C@]([H])(C[C@]3([H])N1CCO[C@@H]2OC)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4cccc(OC)c4C(=O)c3c(O)c12)C(O)=O

PNU-159682 carboxylic acid is a potent ADCs cytotoxin,PNU-159682 carboxylic acid has protein fold and diverse functions.

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