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| IUPAC Name: | methyl (3R)-3-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[[(2S)-2-[[(E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoyl]amino]propanoyl]-methylamino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate |
| Description: | (3R)-N-[(2S,4E,6R,8S)-8-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2,4,6-trimethyl-1-oxo-4-nonen-1-yl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-β-alanine Methyl Ester is an intermediate in the synthesis of Jasplakinolide (J210700), an potent inhibitor of prostrate and breast carcinoma cell proliferation. |
| Molecular Weight: | 1012.31 |
| Molecular Formula: | C52H83BrN4O7Si2 |
| Canonical SMILES: | CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C(CC2=C(NC3=CC=CC=C32)Br)N(C)C(=O)C(C)NC(=O)C(C)CC(=CC(C)CC(C)O[Si](C)(C)C(C)(C)C)C |
| InChI: | InChI=1S/C52H83BrN4O7Si2/c1-32(2)66(33(3)4,34(5)6)64-41-25-23-40(24-26-41)45(31-47(58)62-16)56-50(60)46(30-43-42-21-19-20-22-44(42)55-48(43)53)57(15)51(61)39(11)54-49(59)37(9)28-35(7)27-36(8)29-38(10)63-65(17,18)52(12,13)14/h19-27,32-34,36-39,45-46,55H,28-31H2,1-18H3,(H,54,59)(H,56,60)/b35-27+/t36-,37-,38-,39-,45+,46+/m0/s1 |
| InChI Key: | WHZVSQYOMVEPFR-YLLOYHISSA-N |
| References: | Ghosh, A. K., et al. Org. Lett., 9, 2425 (2007). |
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