Name: TD-165
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212668416
Cas No:2305936-56-3
常用名:TD-165
IUPAC:(2S,4R)-1-[(2S)-2-(11-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}undecanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-(11-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]amino}undecanamido)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:KSXVXTSIDVRZBR-IINAPWRYSA-N

分子式:C46H59N7O8S
分子量:870.08
氢键供体数 (HBD):5
氢键受体数 (HBA):10
LogP:4.1468506
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)C(C)(C)C)cc1
SMILES:Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCCNc2cccc3C(=O)N(C4CCC(=O)NC4=O)C(=O)c23)C(C)(C)C)cc1

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