| CAS Number | 1820603-73-3 |
| Catalog Number | AG00I0FV(AGN-PC-0WQZVY) |
| Chemical Name | tert-Butyl N-[2-(4-{2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl}butanamido)ethyl]carbamate |
| IUPAC Name | tert-butyl N-[2-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butanoylamino]ethyl]carbamate |
| InChI | InChI=1S/C16H28N4O4S/c1-16(2,3)24-15(23)18-8-7-17-12(21)6-4-5-11-13-10(9-25-11)19-14(22)20-13/h10-11,13H,4-9H2,1-3H3,(H,17,21)(H,18,23)(H2,19,20,22) |
| InChI Key | WFCWYOYNRIQBHF-UHFFFAOYSA-N |
| MDL Number | MFCD28096638 |
| Molecular Formula | C16H28N4O4S |
| Molecular Weight | 372.4829 |
| SMILES | CC(C)(C)OC(=O)NCCNC(=O)CCCC1SCC2NC(=O)NC12 |
| Synonyms | tert-Butyl N-[2-(4-{2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl}butanamido)ethyl]carbamate,
1820603-73-3,
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| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 372.183g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.484g/mol |
| Monoisotopic Mass | 372.183g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 134A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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