N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]tryptophan
Chemical Structure Depiction of
N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]tryptophan
N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]tryptophan
Compound characteristics
| Compound ID: | Y042-8832 |
| Compound Name: | N-[rel-(2R)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanoyl]tryptophan |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C21 H19 N5 O4 |
| Smiles: | C[C@@H](C(N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O)=O)N1C(c2ccccc2N=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7771 |
| logD: | -1.8556 |
| logSw: | -2.4622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.06 |
| InChI Key: | NTYVDUWYWLFUGG-SGTLLEGYSA-N |