HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19968024Generated: November 4, 2026
(2RS,5SR)-3-{3-[2-(2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}phenylacetic acid
https://huagongshe.com/en/chemical/19968024
Identifiers & Physical Properties
| Molecular formula | C26H31N3O6 |
|---|
| Average molar mass | 481.5 g/mol |
|---|
| SMILES | CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1 |
|---|
| InChIKey | KGORXQFWNIEKJH-UHFFFAOYSA-N |
|---|
| PubChem CID | 19968024 |
|---|
Chemical & Physical Properties
| XLogP | 2.9 |
|---|
| Topological polar surface area | 125 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 35 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 774 |
|---|
![(2RS,5SR)-3-{3-[2-(2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}phenylacetic acid molecular structure](/img/chemical/19968024.png)