4-[(N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-phenylalanyl)amino]butanoic acid
Chemical Structure Depiction of
4-[(N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-phenylalanyl)amino]butanoic acid
4-[(N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-phenylalanyl)amino]butanoic acid
Compound characteristics
| Compound ID: | Y040-8476 |
| Compound Name: | 4-[(N-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-phenylalanyl)amino]butanoic acid |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C27 H28 N2 O7 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC(N[C@@H](Cc1ccccc1)C(NCCCC(O)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6183 |
| logD: | -1.2026 |
| logSw: | -2.4765 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.686 |
| InChI Key: | LNGZPANXRWBGBC-QFIPXVFZSA-N |