ethyl 2-{2-[(N-acetylmethionyl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(N-acetylmethionyl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(N-acetylmethionyl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4249-0021 |
| Compound Name: | ethyl 2-{2-[(N-acetylmethionyl)oxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C20 H28 N2 O6 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(COC(C(CCSC)NC(C)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2352 |
| logD: | 0.1362 |
| logSw: | -2.5664 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.2 |
| InChI Key: | VYTLBSQWJHOIFX-AWEZNQCLSA-N |