4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-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-{[(propan-2-yl)oxy]carbonyl}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid
4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]butanoic acid
Compound characteristics
| Compound ID: | Y200-5876 |
| Compound Name: | 4-oxo-4-[(3-{[(propan-2-yl)oxy]carbonyl}-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: | CC(C)OC(c1c2CCCCCCCCCCc2sc1NC(CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3672 |
| logD: | 2.4177 |
| logSw: | -5.0779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.25 |
| InChI Key: | HGTNIVXEYNLVSS-UHFFFAOYSA-N |