4YB
5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine
Find entries where: 4YB
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine |
| Identifiers | 2-[4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoyl]benzoic acid |
| Formula | C21 H22 N6 O10 S |
| Molecular Weight | 550.499 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(c(c1)C(=O)CCC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O)C(=O)O |
| InChI | InChI=1S/C21H22N6O10S/c22-18-15-19(24-8-23-18)27(9-25-15)20-17(31)16(30)13(37-20)7-36-38(34,35)26-14(29)6-5-12(28)10-3-1-2-4-11(10)21(32)33/h1-4,8-9,13,16-17,20,30-31H,5-7H2,(H,26,29)(H,32,33)(H2,22,23,24)/t13-,16-,17-,20-/m1/s1 |
| InChIKey | JRKRGBFWNBVHHH-AEVYOOLXSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 60 |
| Chiral Atom Count | 4 |
| Bond Count | 63 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 56935653 |
