649
5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
Find entries where: 649
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
|---|---|
| Name | 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine |
| Identifiers | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(11-phenoxyundecanoyl)sulfamate |
| Formula | C27 H38 N6 O8 S |
| Molecular Weight | 606.691 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O |
| InChI | InChI=1S/C27H38N6O8S/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(41-27)16-40-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-39-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 |
| InChIKey | VLRIGNDIFPKPGQ-ZCIWVVNKSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 80 |
| Chiral Atom Count | 4 |
| Bond Count | 83 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 118987041 |
