N~5~-carbamoyl-N~2~-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-ornithine
Chemical Structure Depiction of
N~5~-carbamoyl-N~2~-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-ornithine
N~5~-carbamoyl-N~2~-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-ornithine
Compound characteristics
| Compound ID: | Y040-8381 |
| Compound Name: | N~5~-carbamoyl-N~2~-{[(4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]acetyl}-L-ornithine |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C20 H23 N3 O7 |
| Smiles: | C1CC2=C(C1)c1ccc(cc1OC2=O)OCC(N[C@@H](CCCNC(N)=O)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.5841 |
| logD: | -4.202 |
| logSw: | -2.1578 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 126.68 |
| InChI Key: | BTRQMHXZOMCQNU-HNNXBMFYSA-N |