3-methyl-2-{3-methyl-2-[(2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl)amino]butanamido}butanoic acid
Chemical Structure Depiction of
3-methyl-2-{3-methyl-2-[(2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl)amino]butanamido}butanoic acid
3-methyl-2-{3-methyl-2-[(2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl)amino]butanamido}butanoic acid
Compound characteristics
| Compound ID: | 8014-1785 |
| Compound Name: | 3-methyl-2-{3-methyl-2-[(2,2,7,7-tetramethyltetrahydro-2H,3aH,7H-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carbonyl)amino]butanamido}butanoic acid |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C22 H36 N2 O9 |
| Smiles: | CC(C)C(C(O)=O)NC(C(C(C)C)NC(C1C2C(C3C(O1)OC(C)(C)O3)OC(C)(C)O2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2492 |
| logD: | -3.38 |
| logSw: | -0.8565 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.566 |
| InChI Key: | KITUNTLZXUHISK-JGIMTDIUSA-N |