KU4
2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
Find entries where: KU4
is present as a standalone ligand in 2 entries
Chemical Component Summary | |
|---|---|
| Name | 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
| Identifiers | 2-[(2~{S})-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl]-5-oxidanyl-6-oxidanylidene-~{N}-(2-phenoxyethyl)-1~{H}-pyrimidine-4-carboxamide |
| Formula | C26 H27 Cl N4 O5 |
| Molecular Weight | 510.969 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O |
| InChI | InChI=1S/C26H27ClN4O5/c27-19-10-5-4-7-17(19)12-13-21(32)31-15-6-11-20(31)24-29-22(23(33)26(35)30-24)25(34)28-14-16-36-18-8-2-1-3-9-18/h1-5,7-10,20,33H,6,11-16H2,(H,28,34)(H,29,30,35)/t20-/m0/s1 |
| InChIKey | KNLWMGHUBQQSMB-FQEVSTJZSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 63 |
| Chiral Atom Count | 1 |
| Bond Count | 66 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 135567351, 131953458 |
