methyl N-{[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}phenylalaninate
Chemical Structure Depiction of
methyl N-{[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}phenylalaninate
methyl N-{[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}phenylalaninate
Compound characteristics
| Compound ID: | Y041-5149 |
| Compound Name: | methyl N-{[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetyl}phenylalaninate |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | COC([C@H](Cc1ccccc1)NC(C[C@@H]1C(Nc2ccccc2C(N1)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5358 |
| logD: | 1.5234 |
| logSw: | -2.2549 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.226 |
| InChI Key: | OLWAPXJAMAWAQU-DLBZAZTESA-N |