4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}butanoic acid
Chemical Structure Depiction of
4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}butanoic acid
4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}butanoic acid
Compound characteristics
| Compound ID: | Y200-5880 |
| Compound Name: | 4-oxo-4-{[3-(propoxycarbonyl)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl]amino}butanoic acid |
| Molecular Weight: | 423.57 |
| Molecular Formula: | C22 H33 N O5 S |
| Smiles: | CCCOC(c1c2CCCCCCCCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3687 |
| logD: | 2.4193 |
| logSw: | -5.1324 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.865 |
| InChI Key: | XNBIJLNPHYRMST-UHFFFAOYSA-N |