8KU
2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
Find entries where: 8KU
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide |
| Synonyms | SRI-30027 |
| Identifiers | 2-[(2~{S})-1-[2-(2-chlorophenyl)sulfanylethanoyl]pyrrolidin-2-yl]-~{N}-[[(2~{S})-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxamide |
| Formula | C26 H25 Cl N4 O5 S |
| Molecular Weight | 541.018 |
| Type | NON-POLYMER |
| Isomeric SMILES | c1ccc2c(c1)C[C@H](O2)CNC(=O)C3=C(C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5Cl)O |
| InChI | InChI=1S/C26H25ClN4O5S/c27-17-7-2-4-10-20(17)37-14-21(32)31-11-5-8-18(31)24-29-22(23(33)26(35)30-24)25(34)28-13-16-12-15-6-1-3-9-19(15)36-16/h1-4,6-7,9-10,16,18,33H,5,8,11-14H2,(H,28,34)(H,29,30,35)/t16-,18-/m0/s1 |
| InChIKey | DAFZALMPATYNDF-WMZOPIPTSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 2 |
| Bond Count | 66 |
| Aromatic Bond Count | 12 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 135567358, 131953465 |
