![(3R)-N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-2-bromo-N-methyl-D-tryptophyl-3-[4-[[tris(1-methylethyl)silyl]oxy]phenyl]-β-alanine Methyl Ester](https://resource.bocsci.com/structure/943858-41-1.gif)
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| IUPAC Name: | methyl (3R)-3-[[(2R)-3-(2-bromo-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-[4-tri(propan-2-yl)silyloxyphenyl]propanoate |
| Description: | (3R)-N-[(1,1-Dimethylethoxy)carbonyl]-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: | 801.88 |
| Molecular Formula: | C39H57BrN4O7Si |
| 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)OC(C)(C)C |
| InChI: | InChI=1S/C39H57BrN4O7Si/c1-23(2)52(24(3)4,25(5)6)51-28-19-17-27(18-20-28)32(22-34(45)49-12)43-36(46)33(21-30-29-15-13-14-16-31(29)42-35(30)40)44(11)37(47)26(7)41-38(48)50-39(8,9)10/h13-20,23-26,32-33,42H,21-22H2,1-12H3,(H,41,48)(H,43,46)/t26-,32+,33+/m0/s1 |
| InChI Key: | AWMWIEBRAZGDRU-WNNZTAQKSA-N |
| Solubility: | Chloroform, DCM, Ethyl Acetate, Methanol |
| Appearance: | Off-White Solid |
| References: | Ghosh, A. K., et al. Org. Lett., 9, 2425 (2007). |
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