![4-[(2-Chloroethyl)amino]-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine Methyl Ester](https://resource.bocsci.com/structure/1374033-38-1.gif)
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| IUPAC Name: | methyl (2S)-3-[4-(2-chloroethylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| Description: | 4-[(2-Chloroethyl)amino]-N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanine Methyl Ester is an intermediate in the synthesis of metabolites of Melphalan (M216900), a chemotherapy drug that chemically alters DNA through alkylation of the DNA nucleotide guanine which results in linkages to occur between strands. |
| Molecular Weight: | 356.84 |
| Molecular Formula: | C17H25ClN2O4 |
| Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NCCCl)C(=O)OC |
| InChI: | InChI=1S/C17H25ClN2O4/c1-17(2,3)24-16(22)20-14(15(21)23-4)11-12-5-7-13(8-6-12)19-10-9-18/h5-8,14,19H,9-11H2,1-4H3,(H,20,22)/t14-/m0/s1 |
| InChI Key: | BZEVXNHKBPNBAT-AWEZNQCLSA-N |
| Melting Point: | 72-74ºC |
| Solubility: | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Off-White Solid |
| Storage: | 4°C |
| References: | Ross, W.C.J., et al. Biochem. Pharmacol., 13, 969 (1964); Donelli, M.G., et al. J. Pharm. Pharmacol., 18, 760 (1966); Furner, R.L., et al. Cancer Treat. Rep., 64, 559 (1980). |
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