![[3aS-(3aα,4β,6aα)]-Hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-Thieno[3,4-d]imidazole-4-pentanoic Acid Phenylmethyl Ester](https://resource.bocsci.com/structure/179532-60-6.gif)
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| IUPAC Name: | benzyl 5-[(3aS,4S,6aR)-1,3-dibenzyl-2-oxo-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-4-yl]pentanoate |
| Description: | [3aS-(3aα,4β,6aα)]-Hexahydro-2-oxo-1,3-bis(phenylmethyl)-1H-Thieno[3,4-d]imidazole-4-pentanoic Acid Phenylmethyl Ester is an protected intermediate in the synthesis of biotin (B389040) derivatives. |
| Molecular Weight: | 514.68 |
| Molecular Formula: | C31H34N2O3S |
| Canonical SMILES: | C1C2C(C(S1)CCCCC(=O)OCC3=CC=CC=C3)N(C(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5 |
| InChI: | InChI=1S/C31H34N2O3S/c34-29(36-22-26-16-8-3-9-17-26)19-11-10-18-28-30-27(23-37-28)32(20-24-12-4-1-5-13-24)31(35)33(30)21-25-14-6-2-7-15-25/h1-9,12-17,27-28,30H,10-11,18-23H2/t27-,28-,30-/m0/s1 |
| InChI Key: | KIFRMIBSNWFWPZ-XEVVZDEMSA-N |
| Solubility: | Chloroform (Slightly), Ethyl Acetate (Sparingly) |
| Appearance: | Yellow to Orange Thick Oil |
| Storage: | Refrigerator |
| References: | Han, Q., et al. Bioorg. Med. Chem. Lett., 6, 1371 (1996). |
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