Esterastin
1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl 2-acetamido-4-amino-4-oxobutanoate
Also Known As: Esterastin|1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl 2-acetamido-4-amino-4-oxobutanoate|5-(N-acetyl-L-asparaginyloxy)-2-hexyl-3-hydroxy- 7,10-hexadecadienoic lactone|L-Asparagine, N(2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2alpha(1R*,3Z,6Z),3beta))-|L-Asparagine, N(sup 2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2-alpha(1R*,3Z,6Z),3-beta))-|L-Asparagine, N(sup 2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester,(2S-(2-alpha(1R*,3Z,6Z),3-beta))-
| Molecular Formula | C28H46N2O6 |
|---|---|
| Molecular Weight | 506.3356 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 506.3356 |
| Monoisotopic Mass | 506.3356 |
| Heavy Atoms | 36 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 67655-93-0 |
|---|---|
| SMILES | CCCCCCC1C(OC1=O)CC(CC=CCC=CCCCCC)OC(=O)C(CC(=O)N)NC(=O)C |
| InChIKey | JKNGELGDDBUFHG-UHFFFAOYSA-N |
Product Overview
Esterastin (CAS 67655-93-0), with molecular formula C28H46N2O6 and molecular weight 506.3356 g/mol. IUPAC: 1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl 2-acetamido-4-amino-4-oxobutanoate.