HuagongsheHuagongshe Chemistry Print Report · For research reference only
t-Butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-aspartyl-2-phenylethyl ester
t-butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-aspartyl-2-phenylethyl ester · L-Aspartic acid, N-[N-[N-[N-[N-[(1,1-dimethylethoxy)carbonyl]-O-sulfo-L-tyrosyl]-L-norleucyl]glycyl]-L-tyrosyl]-, 1-(2-phenylethyl) ester (9CI)
Identifiers & Physical Properties
| CAS No. | 156586-96-8 |
|---|---|
| Molecular formula | C43H55N5O15S |
| Average molar mass | 914 g/mol |
| Monoisotopic mass | 913.34153724 g/mol |
| SMILES | CCCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)OCCc1ccccc1 |
| InChIKey | PGDLFENJBKYXQO-BBACVFHCSA-N |
| PubChem CID | 190845 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 311 |
| Hydrogen bond donors | 8 |
| Hydrogen bond acceptors | 15 |
| Rotatable bonds | 27 |
| Heavy atoms | 64 |
| Formal charge | 0 |
| Complexity | 1,650 |