basic_info |
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Product_Name: | PROPYL 2-[[2-(1-ADAMANTYL)ACETYL]AMINO]-4-(4-TERT-BUTYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE |
EnglishSynonyms: | PROPYL 2-[[2-(1-ADAMANTYL)ACETYL]AMINO]-4-(4-TERT-BUTYLPHENYL)-5-METHYLTHIOPHENE-3-CARBOXYLATE |
pro_mdlNumber: | MFCD02244191 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | CCCOC(=O)c1c(c(sc1NC(=O)C[C@]23C[C@@H]4C[C@H](C2)C[C@@H](C4)C3)C)c5ccc(cc5)C(C)(C)C |
InChi: | InChI=1S/C31H41NO3S/c1-6-11-35-29(34)27-26(23-7-9-24(10-8-23)30(3,4)5)19(2)36-28(27)32-25(33)18-31-15-20-12-21(16-31)14-22(13-20)17-31/h7-10,20-22H,6,11-18H2,1-5H3,(H,32,33)/t20-,21+,22-,31- |
InChiKey: | InChIKey=MKEBNIBBHPGTPS-HSCDDBSWSA-N |
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