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| IUPAC Name: | 2-[[2-[[2-[(2-benzoylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid |
| Description: | Betiatide is an oligopeptide used for the diagnosis of congenital and acquired abnormalities, renal failure, urinary tract obstructions, and calculi. |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C15H17N3O6S |
| Canonical SMILES: | C1=CC=C(C=C1)C(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O |
| InChI: | InChI=1S/C15H17N3O6S/c19-11(16-6-12(20)18-8-14(22)23)7-17-13(21)9-25-15(24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,19)(H,17,21)(H,18,20)(H,22,23) |
| InChI Key: | VDPYMEBVIDZKMD-UHFFFAOYSA-N |
| Boiling Point: | 798.5±60.0 °C (Predicted) |
| Melting Point: | 193-195 °C |
| Purity: | 98% |
| Density: | 1.397±0.06 g/cm3 (Predicted) |
| Appearance: | White to Off-white Solid |
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