Name: dTRIM24
Rating: 5 (10 reviews)

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HIT ID:HIT212080505
Cas No:2170695-14-2
常用名:dTRIM24
IUPAC:(2S,4R)-1-[(2S)-2-{2-[2-(2-{2-[(3-{[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}phenyl)formamido]ethoxy}ethoxy)ethoxy]acetamido}-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-{2-[2-(2-{2-[(3-{[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]sulfamoyl}phenyl)formamido]ethoxy}ethoxy)ethoxy]acetamido}-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}pyrrolidine-2-carboxamide
InChI key:QUQTXFIMYFMULC-OGOZKGDESA-N

分子式:C55H68N8O13S2
分子量:1113.31
氢键供体数 (HBD):5
氢键受体数 (HBA):13
LogP:3.2491198
SMILES:CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1
SMILES:CCCOc1cccc(Oc2cc3n(C)c(=O)n(C)c3cc2NS(=O)(=O)c2cccc(c2)C(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(cc2)-c2scnc2C)C(C)(C)C)c1

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