methyl N-{[2-({N-[(benzyloxy)carbonyl]-beta-alanyl}amino)-5-bromophenyl](phenyl)methyl}glycinate
Chemical Structure Depiction of
methyl N-{[2-({N-[(benzyloxy)carbonyl]-beta-alanyl}amino)-5-bromophenyl](phenyl)methyl}glycinate
methyl N-{[2-({N-[(benzyloxy)carbonyl]-beta-alanyl}amino)-5-bromophenyl](phenyl)methyl}glycinate
Compound characteristics
| Compound ID: | 0831-1124 |
| Compound Name: | methyl N-{[2-({N-[(benzyloxy)carbonyl]-beta-alanyl}amino)-5-bromophenyl](phenyl)methyl}glycinate |
| Molecular Weight: | 554.44 |
| Molecular Formula: | C27 H28 Br N3 O5 |
| Smiles: | COC(CNC(c1ccccc1)c1cc(ccc1NC(CCNC(=O)OCc1ccccc1)=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6411 |
| logD: | 3.6086 |
| logSw: | -3.958 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.889 |
| InChI Key: | FPLXBTKFDZPYMU-SANMLTNESA-N |