Spiraprilate
7-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
Also Known As: Spiraprilate|SPIRAPRILAT|J3.089.752H|7-{2-[(1-carboxy-3-phenylpropyl)amino]propanoyl}-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid(non-preferred name)|1,4-Dithia-7-azaspiro(4.4)nonane-8-carboxylic acid, 7-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)-|3-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid|7-[2-[(1-Carboxy-3-phenylpropyl)amino]-1-oxopropyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid|7-{2-[(1-Carboxy-3-phenylpropyl)amino]propanoyl}-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid
| Molecular Formula | C20H26N2O5S2 |
|---|---|
| Molecular Weight | 438.12833 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.12833 |
| Monoisotopic Mass | 438.12833 |
| Heavy Atoms | 29 |
| Complexity | 620.0 |
Chemical Identifiers
| CAS Number | 88893-87-2 |
|---|---|
| SMILES | CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(CCC3=CC=CC=C3)C(=O)O |
| InChIKey | FMMDBLMCSDRUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiraprilate (CAS 88893-87-2), with molecular formula C20H26N2O5S2 and molecular weight 438.12833 g/mol. IUPAC: 7-[2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid.