methyl N-{3-[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}phenylalaninate
Chemical Structure Depiction of
methyl N-{3-[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}phenylalaninate
methyl N-{3-[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}phenylalaninate
Compound characteristics
| Compound ID: | Y041-5233 |
| Compound Name: | methyl N-{3-[rel-(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanoyl}phenylalaninate |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C22 H23 N3 O5 |
| Smiles: | COC([C@H](Cc1ccccc1)NC(CC[C@@H]1C(Nc2ccccc2C(N1)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9917 |
| logD: | 1.9812 |
| logSw: | -2.7234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.226 |
| InChI Key: | WNRQIPPPHSITPJ-ZWKOTPCHSA-N |