5-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Chemical Structure Depiction of
5-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
5-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid
Compound characteristics
| Compound ID: | Y205-6751 |
| Compound Name: | 5-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-3-methyl-5-oxopentanoic acid |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C20 H30 N2 O4 S |
| Smiles: | CCC(C)(C)C1CCc2c(C(N)=O)c(NC(CC(C)CC(O)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0358 |
| logD: | -0.5307 |
| logSw: | -2.4263 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.545 |
| InChI Key: | CEBHSFYVSPKFPS-UHFFFAOYSA-N |