N~5~-carbamoyl-N~2~-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]ornithine
Chemical Structure Depiction of
N~5~-carbamoyl-N~2~-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]ornithine
N~5~-carbamoyl-N~2~-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]ornithine
Compound characteristics
| Compound ID: | Y042-8833 |
| Compound Name: | N~5~-carbamoyl-N~2~-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]ornithine |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C16 H20 N6 O5 |
| Smiles: | C[C@@H](C(N[C@@H](CCCNC(N)=O)C(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.7651 |
| logD: | -4.4251 |
| logSw: | -2.0045 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 137.685 |
| InChI Key: | YKIWTIOOYWYIIJ-CABZTGNLSA-N |