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CoV Mpro VHL PROTAC 9 [US11518759] , CAS No.C609559
Basic Description
Synonyms | example 9 [US11518759] |
Grade | Moligand™ |
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Names and Identifiers
IUPAC Name | (2S,4R)-1-[(2S)-2-[[2-[2-[2-[4-[[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide |
INCHI | InChI=1S/C49H53ClF3N13O8S/c1-27-42(75-26-55-27)29-8-6-28(7-9-29)19-54-44(69)40-16-33(67)24-64(40)45(70)43(49(2,3)4)57-41(68)25-74-13-12-73-11-10-63-22-32(59-61-63)23-66-47(71)58-46(56-39-15-31-20-62(5)60-38(31)17-34(39)50)65(48(66)72)21-30-14-36(52)37(53)18-35(30)51/h6-9,14-15,17-18,20,22,26,33,40,43,67H,10-13,16,19,21,23-25H2,1-5H3,(H,54,69)(H,57,68)(H,56,58,71)/t33-,40+,43-/m1/s1 |
InChi Key | RDBWQVIJCQWJIZ-XREHLNMBSA-N |
Canonical SMILES | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4C=C(N=N4)CN5C(=O)N=C(N(C5=O)CC6=CC(=C(C=C6F)F)F)NC7=CC8=CN(N=C8C=C7Cl)C)O |
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