![2-Bromo-N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-N-methyl-D-tryptophan Methyl Ester](https://resource.bocsci.com/structure/134781-89-8.gif)
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| IUPAC Name: | methyl (2R)-3-(2-bromo-1H-indol-3-yl)-2-[methyl-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate |
| Description: | 2-Bromo-N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-N-methyl-D-tryptophan Methyl Ester is an intermediate in the synthesis of Jasplakinolide (J210700), an potent inhibitor of prostrate and breast carcinoma cell proliferation. |
| Molecular Weight: | 482.37 |
| Molecular Formula: | C21H28BrN3O5 |
| Canonical SMILES: | CC(C(=O)N(C)C(CC1=C(NC2=CC=CC=C21)Br)C(=O)OC)NC(=O)OC(C)(C)C |
| InChI: | InChI=1S/C21H28BrN3O5/c1-12(23-20(28)30-21(2,3)4)18(26)25(5)16(19(27)29-6)11-14-13-9-7-8-10-15(13)24-17(14)22/h7-10,12,16,24H,11H2,1-6H3,(H,23,28)/t12-,16+/m0/s1 |
| InChI Key: | LXFLPANSVSXCFU-BLLLJJGKSA-N |
| Solubility: | Chloroform, DCM, Ethyl Acetate, Methanol |
| Appearance: | White Solid |
| References: | Rao, A. V., et al. Tetrahedron. Lett., 34, 7085 (1993); Chu, K. S., et al. J. Org. Chem., 56, 5196 (1991). |
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