Name: (S,R,S)-AHPC-Me-C7 ester
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212668306
Cas No:2639528-48-4
常用名:(S,R,S)-AHPC-Me-C7 ester
IUPAC:ethyl 6-{[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}hexanoate
IUPAC:ethyl 6-{[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}hexanoate
InChI key:GQGWVJVMHUOOQE-WEORHZHFSA-N

分子式:C32H46N4O6S
分子量:614.8
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.747227
SMILES:CCOC(=O)CCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C
SMILES:CCOC(=O)CCCCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(cc1)-c1scnc1C)C(C)(C)C

(S,R,S)-AHPC-Me-C7 ester is an E3 ligase ligand-linker conjugate used to synthesize BCL-XL PROTAC degraders[1].

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