4-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}pentanoic acid
Chemical Structure Depiction of
4-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}pentanoic acid
4-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}pentanoic acid
Compound characteristics
| Compound ID: | 5809-0035 |
| Compound Name: | 4-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}pentanoic acid |
| Molecular Weight: | 486.56 |
| Molecular Formula: | C23 H38 N2 O9 |
| Smiles: | CC(C)CC(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: | 0.9791 |
| logD: | -2.6809 |
| logSw: | -1.2797 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.844 |
| InChI Key: | ZZHGKGQIPZGFLE-UHFFFAOYSA-N |