benzyl 4-({1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-3-[(tert-butoxycarbonyl)amino]-4-oxobutanoate
Chemical Structure Depiction of
benzyl 4-({1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-3-[(tert-butoxycarbonyl)amino]-4-oxobutanoate
benzyl 4-({1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-3-[(tert-butoxycarbonyl)amino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 4464-1033 |
| Compound Name: | benzyl 4-({1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-3-[(tert-butoxycarbonyl)amino]-4-oxobutanoate |
| Molecular Weight: | 582.7 |
| Molecular Formula: | C31 H42 N4 O7 |
| Smiles: | CCC(C)C(C(NC(Cc1ccccc1)C(N)=O)=O)NC(C(CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8184 |
| logD: | 4.8184 |
| logSw: | -4.8837 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 134.418 |
| InChI Key: | MLLNBNIWCJUKEH-UHFFFAOYSA-N |