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| IUPAC Name: | benzyl N-[3-oxo-3-[2-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyldisulfanyl]ethylamino]propyl]carbamate |
| Description: | 5, 14-Dioxo- 9, 10- dithia- 2, 6, 13, 17- tetraazaoctadecanedi oic Acid 1, 18-Bis(phenylmethyl) Ester is a used to synthesize β-alethine, a potential anti-cancer agent that induces cell differentiation. |
| Molecular Weight: | 562.7 |
| Molecular Formula: | C26H34N4O6S2 |
| Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)OCC2=CC=CC=C2 |
| InChI: | InChI=1S/C26H34N4O6S2/c31-23(11-13-29-25(33)35-19-21-7-3-1-4-8-21)27-15-17-37-38-18-16-28-24(32)12-14-30-26(34)36-20-22-9-5-2-6-10-22/h1-10H,11-20H2,(H,27,31)(H,28,32)(H,29,33)(H,30,34) |
| InChI Key: | QNRYOCUKPBROPJ-UHFFFAOYSA-N |
| References: | Knight, G. D., et al. Cancer Res. 54, 5636 (1994). |
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