benzyl 5-({1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-4-{2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanamido}-5-oxopentanoate
Chemical Structure Depiction of
benzyl 5-({1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-4-{2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanamido}-5-oxopentanoate
benzyl 5-({1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-4-{2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanamido}-5-oxopentanoate
Compound characteristics
| Compound ID: | 4464-0994 |
| Compound Name: | benzyl 5-({1-[(1-amino-3-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl}amino)-4-{2-[(tert-butoxycarbonyl)amino]-4-(methylsulfanyl)butanamido}-5-oxopentanoate |
| Molecular Weight: | 693.91 |
| Molecular Formula: | C34 H55 N5 O8 S |
| Smiles: | CCC(C)C(C(N)=O)NC(C(C(C)CC)NC(C(CCC(=O)OCc1ccccc1)NC(C(CCSC)NC(=O)OC(C)(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6753 |
| logD: | 5.6753 |
| logSw: | -5.472 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 6 |
| Polar surface area: | 158.727 |
| InChI Key: | IRVDXUQGNWREPJ-UHFFFAOYSA-N |