Name: MTX-23
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT215476973
Cas No:2488296-74-6
常用名:MTX-23
IUPAC:(2S,4R)-1-[(2S)-2-[5-(2-{2,3-difluoro-6-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]phenoxy}acetamido)pentanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
IUPAC:(2S,4R)-1-[(2S)-2-[5-(2-{2,3-difluoro-6-[2-(morpholin-4-yl)-1,3-thiazol-4-yl]phenoxy}acetamido)pentanamido]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
InChI key:JOZGICGAZBMCJF-JMSDHYLISA-N

分子式:C43H53F2N7O7S2
分子量:882.06
氢键供体数 (HBD):4
氢键受体数 (HBA):10
LogP:3.679
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCNC(=O)COc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)CCCCNC(=O)COc1c(F)c(F)ccc1-c1csc(n1)N1CCOCC1)C(C)(C)C)c1ccc(cc1)-c1scnc1C

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